941	762	901	0:SP2_SP1_SP2	N	C[6]	N	3:1:	3:3:2:	2:	C[6]-3:N-1:	C[6,6a]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6,6a]C[6])(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(NN)	N(NC[6])	N(C[6]C[6,6a]C[6])(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(NN){1|H<1>,4|C<3>}	N(NC[6])	176.9470	0.963	2	176.9470	0.928	2	176.9680	1.140	5	177.1101	1.239	7	176.9655	1.418	10	176.9655	1.418	10
941	762	901	0:SP2_SP1_SP2	N	C[6]	N	3:1:	3:3:2:	2:	C[6]-3:N-1:	C[6,6a]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6,6a]C[6])(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN)	N(NC[6])	N(C[6]C[6,6a]C[6])(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN){2|H<1>,3|C<3>}	N(NC[6])	175.5010	0.000	1	175.5010	0.000	1	176.9680	1.140	5	177.1101	1.239	7	176.9655	1.418	10	176.9655	1.418	10
941	762	901	0:SP2_SP1_SP2	N	C[6]	N	3:1:	3:3:2:	2:	C[6]-3:N-1:	C[6,6a]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6,6a]C[6])(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(NN)	N(NC[6])	N(C[6]C[6,6a]C[6])(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(NN){1|C<4>,1|H<1>,2|C<3>}	N(NC[6])	177.7225	0.585	2	177.7225	0.342	2	176.9680	1.140	5	177.1101	1.239	7	176.9655	1.418	10	176.9655	1.418	10
941	762	901	0:SP2_SP1_SP2	N	C[6]	N	3:1:	3:3:2:	2:	C[6]-3:N-1:	C[6]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6]2)(N)	C[6](C[6]C[6]O)2(NN)	N(NC[6])	N(C[6]C[6]2)(N)	C[6](C[6]C[6]O)2(NN){1|C<3>,2|N<2>}	N(NC[6])	178.5880	0.000	1	178.5880	0.000	1	178.5880	0.000	1	177.1101	1.239	7	176.9655	1.418	10	176.9655	1.418	10
941	762	901	0:SP2_SP1_SP2	N	C[6]	N	3:1:	3:3:2:	2:	C[6]-3:N-1:	C[6]-3:S[6]-3:N-2:	N-2:	N(C[6]C[6]S[6])(N)	C[6](C[6]C[6,6a]O)(S[6]C[6]O)(NN)	N(NC[6])	N(C[6]C[6]S[6])(N)	C[6](C[6]C[6,6a]O)(S[6]C[6]O)(NN){2|C<3>,2|H<1>}	N(NC[6])	176.3430	0.000	1	176.3430	0.000	1	176.3430	0.000	1	177.1101	1.239	7	176.9655	1.418	10	176.9655	1.418	10
941	762	901	0:SP2_SP1_SP2	N	C[6]	N	3:1:	4:3:2:	2:	C[6]-3:N-1:	C[6,6]-4:C[6]-3:N-2:	N-2:	N(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NN)	N(NC[6])	N(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NN){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	N(NC[6])	175.5480	0.000	1	175.5480	0.000	1	176.6280	2.420	3	176.6280	2.420	3	176.9655	1.418	10	176.9655	1.418	10
941	762	901	0:SP2_SP1_SP2	N	C[6]	N	3:1:	4:3:2:	2:	C[6]-3:N-1:	C[6,6]-4:C[6]-3:N-2:	N-2:	N(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(NN)	N(NC[6])	N(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(NN){4|C<4>,4|H<1>}	N(NC[6])	177.1680	1.758	2	177.1680	3.090	2	176.6280	2.420	3	176.6280	2.420	3	176.9655	1.418	10	176.9655	1.418	10
941	762	909	0:SP2_SP2_SP2	N	C[6]	S	3:2:	4:2:2:	3:2:	C[6]-3:S-2:	C[6]-4:O[6]-2:N-2:	C[6a]-3:N-2:	N(C[6]C[6]O[6])(SC[6a])	C[6](C[6]C[6]ClC)(O[6]C[6,6])(NS)	S(C[6a]C[6a]2)(NC[6])	N(C[6]C[6]O[6])(SC[6a])	C[6](C[6]C[6]ClC)(O[6]C[6,6])(NS){1|C<4>,1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(NC[6])	119.5470	0.649	2	119.5470	0.421	2	119.5470	0.421	2	119.5470	0.421	2	119.5470	0.421	2	119.5470	0.421	2
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	2:2:2:	2:2:1:	C[6]-3:C-3:	C[6]-2:C[6]-2:N-2:	N-2:N-2:O-1:	N(C[6]C[6]2)(CNO)	C[6](C[6]C[6])2(NC)	C(NC[6])(NC)(O)	N(C[6]C[6]2)(CNO)	C[6](C[6]C[6])2(NC){1|C<3>}	C(NC[6])(NC)(O)	127.1250	0.000	1	127.1250	0.000	1	127.1250	0.000	1	125.3420	2.598	3	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	2:2:2:	2:2:1:	C[6]-3:C-3:	C[6]-2:C[6]-2:N-2:	N-2:O-2:O-1:	N(C[6]C[6]2)(COO)	C[6](C[6]C[6])2(NC)	C(NC[6])(OC)(O)	N(C[6]C[6]2)(COO)	C[6](C[6]C[6])2(NC){1|C<3>}	C(NC[6])(OC)(O)	124.9130	0.000	1	124.9130	0.000	1	124.4505	0.428	2	125.3420	2.598	3	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	2:2:2:	2:2:1:	C[6]-3:C-3:	C[6]-2:C[6]-2:N-2:	N-2:O-2:O-1:	N(C[6]C[6]2)(COO)	C[6](C[6]C[6])2(NC)	C(NC[6])(ON[6])(O)	N(C[6]C[6]2)(COO)	C[6](C[6]C[6])2(NC){1|C<3>}	C(NC[6])(ON[6])(O)	123.9880	0.000	1	123.9880	0.000	1	124.4505	0.428	2	125.3420	2.598	3	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	2:2:2:	3:2:1:	C[6]-3:C-3:	N[6]-2:O[6]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[6]N[6]O[6])(CC[6a]O)	C[6](N[6]C[6,6a])(O[6]C[6])(NC)	C(C[6a]C[6a]2)(NC[6])(O)	N(C[6]N[6]O[6])(CC[6a]O)	C[6](N[6]C[6,6a])(O[6]C[6])(NC){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6])(O)	119.3240	0.000	1	119.3240	0.000	1	119.3240	0.000	1	119.3240	0.000	1	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	2:3:2:	2:3:1:	C[6]-3:C-3:	O[6]-2:C[6]-3:N-2:	N-2:N-3:H-1:	N(C[6]C[6]O[6])(CHN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC)	C(NC[6])(NCC)(H)	N(C[6]C[6]O[6])(CHN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC){1|H<1>,3|C<3>}	C(NC[6])(NCC)(H)	119.9110	0.000	1	119.9110	0.000	1	119.9110	0.000	1	119.9110	0.000	1	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	2:3:2:	3:2:1:	C[6]-3:C-3:	S[6]-2:N[6]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6]N[6]S[6])(CC[6a]O)	C[6](S[6]C[6,6])(N[6]C[6]H)(NC)	C(C[6a]C[6a]2)(NC[6])(O)	N(C[6]N[6]S[6])(CC[6a]O)	C[6](S[6]C[6,6])(N[6]C[6]H)(NC){2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(NC[6])(O)	120.6920	0.000	1	120.6920	0.000	1	120.6920	0.000	1	120.6920	0.000	1	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:2:2:	2:2:1:	C[6]-3:C-3:	C[6]-3:O[6]-2:N-2:	N-2:O-2:H-1:	N(C[6]C[6]O[6])(CHO)	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NC)	C(NC[6])(OC)(H)	N(C[6]C[6]O[6])(CHO)	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NC){1|N<3>,3|C<3>}	C(NC[6])(OC)(H)	120.6955	0.234	2	120.6955	0.055	2	120.6955	0.055	2	120.6955	0.055	2	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:2:2:	2:3:1:	C[6]-3:C-3:	C[6,6]-3:C[6]-2:N-2:	N-2:C-3:O-1:	N(C[6]C[6,6]C[6])(CCO)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NC)	C(NC[6])(CCC)(O)	N(C[6]C[6,6]C[6])(CCO)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NC){3|C<2>}	C(NC[6])(CCC)(O)	127.0240	0.996	2	127.0240	0.991	2	127.0240	0.991	2	124.0913	26.297	3	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:2:2:	2:3:1:	C[6]-3:C-3:	C[6]-3:O[6]-2:N-2:	N-2:N-3:H-1:	N(C[6]C[6]O[6])(CHN)	C[6](C[6]C[6]C)(O[6]C[6])(NC)	C(NC[6])(NCC)(H)	N(C[6]C[6]O[6])(CHN)	C[6](C[6]C[6]C)(O[6]C[6])(NC){1|C<4>,1|H<1>,2|C<3>}	C(NC[6])(NCC)(H)	118.2260	0.000	1	118.2260	0.000	1	118.2260	0.000	1	124.0913	26.297	3	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:2:2:	2:4:1:	C[6]-3:C-3:	C[6,6a]-3:S[6]-2:N-2:	N-2:C-4:O-1:	N(C[6]C[6,6a]S[6])(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(NC)	C(NC[6])(CCHH)(O)	N(C[6]C[6,6a]S[6])(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(NC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(NC[6])(CCHH)(O)	121.2900	0.000	1	121.2900	0.000	1	121.2900	0.000	1	121.1095	0.065	2	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:2:2:	2:4:1:	C[6]-3:C-3:	N[6]-3:S[6]-2:N-2:	N-2:C-4:O-1:	N(C[6]N[6]S[6])(CCO)	C[6](N[6]N[6]H)(S[6]C[6])(NC)	C(NC[6])(CCHN)(O)	N(C[6]N[6]S[6])(CCO)	C[6](N[6]N[6]H)(S[6]C[6])(NC){1|C<3>,2|H<1>}	C(NC[6])(CCHN)(O)	120.9290	0.000	1	120.9290	0.000	1	120.9290	0.000	1	121.1095	0.065	2	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:2:2:	3:2:1:	C[6]-3:C-3:	C[6]-3:N[6]-2:N-2:	C[5]-3:N-2:H-1:	N(C[6]C[6]N[6])(CC[5]H)	C[6](C[6]N[6]H)(N[6]C[6])(NC)	C(C[5]C[5]S[5])(NC[6])(H)	N(C[6]C[6]N[6])(CC[5]H)	C[6](C[6]N[6]H)(N[6]C[6])(NC){1|Cu<6>,1|C<3>,1|H<1>}	C(C[5]C[5]S[5])(NC[6])(H)	117.9270	0.000	1	117.9843	0.125	3	117.9843	0.125	3	118.7940	2.318	5	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:2:2:	3:2:1:	C[6]-3:C-3:	C[6]-3:N[6]-2:N-2:	C[5]-3:N-2:H-1:	N(C[6]C[6]N[6])(CC[5]H)	C[6](C[6]N[6]H)(N[6]C[6])(NC)	C(C[5]C[5]S[5])(NC[6])(H)	N(C[6]C[6]N[6])(CC[5]H)	C[6](C[6]N[6]H)(N[6]C[6])(NC){1|Mn<6>,1|C<3>,1|H<1>}	C(C[5]C[5]S[5])(NC[6])(H)	118.3630	0.000	1	117.9843	0.125	3	117.9843	0.125	3	118.7940	2.318	5	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:2:2:	3:2:1:	C[6]-3:C-3:	C[6]-3:N[6]-2:N-2:	C[5]-3:N-2:H-1:	N(C[6]C[6]N[6])(CC[5]H)	C[6](C[6]N[6]H)(N[6]C[6])(NC)	C(C[5]C[5]S[5])(NC[6])(H)	N(C[6]C[6]N[6])(CC[5]H)	C[6](C[6]N[6]H)(N[6]C[6])(NC){1|Zn<6>,1|C<3>,1|H<1>}	C(C[5]C[5]S[5])(NC[6])(H)	117.6630	0.000	1	117.9843	0.125	3	117.9843	0.125	3	118.7940	2.318	5	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:2:2:	3:2:1:	C[6]-3:C-3:	N[6]-3:S[6]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[6]N[6]S[6])(CC[6a]O)	C[6](N[6]C[6,6a]H)(S[6]C[6])(NC)	C(C[6a]C[6a]2)(NC[6])(O)	N(C[6]N[6]S[6])(CC[6a]O)	C[6](N[6]C[6,6a]H)(S[6]C[6])(NC){1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(NC[6])(O)	118.5760	0.000	1	118.5760	0.000	1	120.0085	4.104	2	118.7940	2.318	5	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:2:2:	3:2:1:	C[6]-3:C-3:	N[6]-3:S[6]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[6]N[6]S[6])(CC[6a]O)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	C(C[6a]C[6a]2)(NC[6])(O)	N(C[6]N[6]S[6])(CC[6a]O)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(NC[6])(O)	121.4410	0.000	1	121.4410	0.000	1	120.0085	4.104	2	118.7940	2.318	5	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:2:2:	4:2:1:	C[6]-3:C-3:	C[6,6]-3:C[6]-2:N-2:	C[4]-4:N-2:O-1:	N(C[6]C[6,6]C[6])(CC[4]O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NC)	C(C[4]C[4]2C[6])(NC[6])(O)	N(C[6]C[6,6]C[6])(CC[4]O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NC){3|C<2>}	C(C[4]C[4]2C[6])(NC[6])(O)	128.4690	0.000	1	128.4690	0.000	1	128.4690	0.000	1	128.9705	0.503	2	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:2:2:	4:2:1:	C[6]-3:C-3:	C[6]-3:C[6]-2:N-2:	C-4:N-2:O-1:	N(C[6]C[6]2)(CCO)	C[6](C[6]C[6]H)(C[6]C[6])(NC)	C(CC[5,6]CC)(NC[6])(O)	N(C[6]C[6]2)(CCO)	C[6](C[6]C[6]H)(C[6]C[6])(NC){1|C<3>,2|H<1>}	C(CC[5,6]CC)(NC[6])(O)	129.4720	0.000	1	129.4720	0.000	1	129.4720	0.000	1	128.9705	0.503	2	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	2:2:1:	C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	N-2:N-2:O-1:	N(C[6]C[6]2)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC)	C(NC[6a])(NC[6])(O)	N(C[6]C[6]2)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a])(NC[6])(O)	124.2250	0.000	1	124.0060	0.096	2	124.0060	0.096	2	125.5883	31.932	4	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	2:2:1:	C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	N-2:N-2:O-1:	N(C[6]C[6]2)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC)	C(NC[6a])(NC[6])(O)	N(C[6]C[6]2)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC){1|Pd<4>,1|C<3>,1|H<1>}	C(NC[6a])(NC[6])(O)	123.7870	0.000	1	124.0060	0.096	2	124.0060	0.096	2	125.5883	31.932	4	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	2:2:1:	C[6]-3:C-3:	N[6]-3:C[6]-3:N-2:	N-2:O-2:O-1:	N(C[6]C[6]N[6])(COO)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC)	C(NC[6])(OIr)(O)	N(C[6]C[6]N[6])(COO)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC){1|C<3>,2|H<1>}	C(NC[6])(OIr)(O)	133.7160	0.000	1	133.7160	0.000	1	133.7160	0.000	1	125.5883	31.932	4	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	2:2:1:	C[6]-3:C-3:	N[6]-3:N[6]-3:N-2:	N-2:O-2:O-1:	N(C[6]N[6]2)(COO)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NC)	C(NC[6])(OC)(O)	N(C[6]N[6]2)(COO)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NC){1|C<3>,1|C<4>,3|H<1>}	C(NC[6])(OC)(O)	120.6250	0.000	1	120.6250	0.000	1	120.6250	0.000	1	125.5883	31.932	4	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	2:3:1:	C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	N-2:C-3:H-1:	N(C[6]C[6]2)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC)	C(NC[6])(CHN)(H)	N(C[6]C[6]2)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC){1|C<2>,1|C<4>,1|H<1>}	C(NC[6])(CHN)(H)	118.9740	0.000	1	118.9740	0.000	1	118.3440	0.794	2	118.5207	0.399	6	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	2:3:1:	C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	N-2:C-3:H-1:	N(C[6]C[6]2)(CCH)	C[6](C[6]C[6]C)2(NC)	C(NC[6])(CCN)(H)	N(C[6]C[6]2)(CCH)	C[6](C[6]C[6]C)2(NC){1|C<3>,2|H<1>}	C(NC[6])(CCN)(H)	117.7140	0.000	1	117.7140	0.000	1	118.3440	0.794	2	118.5207	0.399	6	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	2:3:1:	C[6]-3:C-3:	C[6]-3:N[6]-3:N-2:	N-2:C-3:H-1:	N(C[6]C[6]N[6])(CCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC)	C(NC[6])(CCC)(H)	N(C[6]C[6]N[6])(CCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC){1|C<3>,2|H<1>}	C(NC[6])(CCC)(H)	118.3000	0.000	1	118.3000	0.000	1	118.3000	0.000	1	118.5207	0.399	6	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	2:3:1:	C[6]-3:C-3:	C[6]-3:N[6]-3:N-2:	N-2:N-3:H-1:	N(C[6]C[6]N[6])(CHN)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC)	C(NC[6])(NCC)(H)	N(C[6]C[6]N[6])(CHN)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC){1|C<3>,2|H<1>}	C(NC[6])(NCC)(H)	118.7120	0.699	3	118.7120	0.489	3	118.7120	0.489	3	118.5207	0.399	6	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	2:3:3:	C[6]-3:C-3:	N[6]-3:C[6]-3:N-2:	N-2:N-3:N-3:	N(C[6]C[6]N[6])(CNN)	C[6](N[6]C[6]Yb)(C[6]C[6]H)(NC)	C(NC[6])(NCH)2	N(C[6]C[6]N[6])(CNN)	C[6](N[6]C[6]Yb)(C[6]C[6]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C(NC[6])(NCH)2	121.5630	0.000	1	121.5630	0.000	1	121.5630	0.000	1	121.5630	0.000	1	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	2:4:1:	C[6]-3:C-3:	N[6]-3:C[6]-3:N-2:	N-2:C-4:O-1:	N(C[6]C[6]N[6])(CCO)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC)	C(NC[6])(CC3)(O)	N(C[6]C[6]N[6])(CCO)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6])(CC3)(O)	127.4610	0.000	1	127.4610	0.000	1	127.4610	0.000	1	127.4610	0.000	1	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	2:4:2:	C[6]-3:C-3:	N[6]-3:C[6]-3:N-2:	N-2:C-4:O-2:	N(C[6]C[6]N[6])(CCO)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC)	C(NC[6])(CC3)(OCu)	N(C[6]C[6]N[6])(CCO)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6])(CC3)(OCu)	123.9410	0.000	1	123.9410	0.000	1	126.7912	10.260	4	126.7912	10.260	4	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	2:4:2:	C[6]-3:C-3:	N[6]-3:C[6]-3:N-2:	N-2:C-4:O-2:	N(C[6]C[6]N[6])(CCO)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC)	C(NC[6])(CC3)(OMn)	N(C[6]C[6]N[6])(CCO)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6])(CC3)(OMn)	124.1360	0.000	1	124.1360	0.000	1	126.7912	10.260	4	126.7912	10.260	4	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	2:4:2:	C[6]-3:C-3:	N[6]-3:C[6]-3:N-2:	N-2:C-4:O-2:	N(C[6]C[6]N[6])(CCO)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC)	C(NC[6])(CC3)(ONi)	N(C[6]C[6]N[6])(CCO)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6])(CC3)(ONi)	130.0180	0.000	1	130.0180	0.000	1	126.7912	10.260	4	126.7912	10.260	4	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	2:4:2:	C[6]-3:C-3:	N[6]-3:C[6]-3:N-2:	N-2:C-4:O-2:	N(C[6]C[6]N[6])(CCO)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC)	C(NC[6])(CC3)(OZn)	N(C[6]C[6]N[6])(CCO)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6])(CC3)(OZn)	129.0700	0.000	1	129.0700	0.000	1	126.7912	10.260	4	126.7912	10.260	4	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	3:2:1:	C[6]-3:C-3:	C[6,6a]-3:C[6]-3:N-2:	C-3:N-2:H-1:	N(C[6]C[6,6a]C[6])(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(NC)	C(CC[6]N)(NC[6])(H)	N(C[6]C[6,6a]C[6])(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(NC){1|H<1>,1|N<2>,3|C<3>}	C(CC[6]N)(NC[6])(H)	124.1880	1.175	2	124.1880	1.381	2	124.1880	1.381	2	123.2475	12.457	11	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	3:2:1:	C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:N-2:H-1:	N(C[6]C[6]2)(CC[6]H)	C[6](C[6]C[6]C)2(NC)	C(C[6]C[6]2)(NC[6])(H)	N(C[6]C[6]2)(CC[6]H)	C[6](C[6]C[6]C)2(NC){1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC[6])(H)	118.6730	0.000	1	118.6730	0.000	1	118.6730	0.000	1	123.2475	12.457	11	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	3:2:1:	C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2)(CC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(CC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC){1|Co<6>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6])(H)	120.5835	0.794	2	120.5835	0.631	2	120.5835	0.631	2	123.2475	12.457	11	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	3:2:1:	C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6]C[6]2)(CC[6a]O)	C[6](C[6]C[6]H)2(NC)	C(C[6a]C[6a]N[6a])(NC[6])(O)	N(C[6]C[6]2)(CC[6a]O)	C[6](C[6]C[6]H)2(NC){1|N<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6])(O)	121.9830	0.000	1	121.9830	0.000	1	121.9830	0.000	1	123.2475	12.457	11	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	3:2:1:	C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	N-3:N-2:O-1:	N(C[6]C[6]2)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC)	C(NC[6]H)(NC[6])(O)	N(C[6]C[6]2)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6]H)(NC[6])(O)	126.8020	0.000	1	126.8020	0.000	1	126.8020	0.000	1	123.2475	12.457	11	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	3:2:1:	C[6]-3:C-3:	C[6]-3:N[6]-3:N-2:	C[6]-3:N-2:O-1:	N(C[6]C[6]N[6])(CC[6]O)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC)	C(C[6]C[6]N[6])(NC[6])(O)	N(C[6]C[6]N[6])(CC[6]O)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6])(O)	126.5120	1.345	2	126.5120	1.809	2	126.5120	1.809	2	123.2475	12.457	11	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	3:2:1:	C[6]-3:C-3:	N[6]-3:C[6]-3:N-2:	C[6]-3:N-2:O-1:	N(C[6]C[6]N[6])(CC[6]O)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC)	C(C[6]C[6]N[6])(NC[6])(O)	N(C[6]C[6]N[6])(CC[6]O)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6])(O)	127.7470	0.000	1	127.7470	0.000	1	127.7470	0.000	1	123.2475	12.457	11	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	3:2:1:	C[6]-3:C-3:	N[6]-3:N[6]-3:N-2:	N-3:N-2:O-1:	N(C[6]N[6]2)(CNO)	C[6](N[6]C[6]H)2(NC)	C(NC[6a]H)(NC[6])(O)	N(C[6]N[6]2)(CNO)	C[6](N[6]C[6]H)2(NC){1|C<4>,2|O<1>}	C(NC[6a]H)(NC[6])(O)	117.9500	0.000	1	117.9500	0.000	1	117.9500	0.000	1	123.2475	12.457	11	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	3:2:2:	C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:N-2:N-2:	N(C[6]C[6]2)(CC[6]N)	C[6](C[6]C[6]C)2(NC)	C(C[6]C[6]2)(NC[6])(NC)	N(C[6]C[6]2)(CC[6]N)	C[6](C[6]C[6]C)2(NC){1|C<2>}	C(C[6]C[6]2)(NC[6])(NC)	123.0450	0.000	1	123.0450	0.000	1	123.0450	0.000	1	122.5076	6.937	8	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	3:2:2:	C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:N-2:O-2:	N(C[6]C[6]2)(CC[6]O)	C[6](C[6]C[6]H)2(NC)	C(C[6]C[6]N[6])(NC[6])(OFe)	N(C[6]C[6]2)(CC[6]O)	C[6](C[6]C[6]H)2(NC){1|N<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6])(OFe)	120.7670	0.000	1	120.7670	0.000	1	120.7670	0.000	1	122.5076	6.937	8	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	3:2:2:	C[6]-3:C-3:	C[6]-3:N[6]-3:N-2:	C[6]-3:N-2:O-2:	N(C[6]C[6]N[6])(CC[6]O)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC)	C(C[6]C[6]N[6])(NC[6])(OCo)	N(C[6]C[6]N[6])(CC[6]O)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6])(OCo)	121.6585	0.930	2	121.6585	0.865	2	121.5316	0.868	5	122.5076	6.937	8	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	3:2:2:	C[6]-3:C-3:	C[6]-3:N[6]-3:N-2:	C[6]-3:N-2:O-2:	N(C[6]C[6]N[6])(CC[6]O)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC)	C(C[6]C[6]N[6])(NC[6])(OFe)	N(C[6]C[6]N[6])(CC[6]O)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6])(OFe)	121.4940	0.000	1	121.4940	0.000	1	121.5316	0.868	5	122.5076	6.937	8	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	3:2:2:	C[6]-3:C-3:	C[6]-3:N[6]-3:N-2:	C[6]-3:N-2:O-2:	N(C[6]C[6]N[6])(CC[6]O)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC)	C(C[6]C[6]N[6])(NC[6])(ONi)	N(C[6]C[6]N[6])(CC[6]O)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6])(ONi)	121.4235	1.597	2	121.4235	2.552	2	121.5316	0.868	5	122.5076	6.937	8	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	3:2:2:	C[6]-3:C-3:	N[6]-3:C[6]-3:N-2:	C[6]-3:N-2:O-2:	N(C[6]C[6]N[6])(CC[6]O)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC)	C(C[6]C[6]N[6])(NC[6])(ORu)	N(C[6]C[6]N[6])(CC[6]O)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6])(ORu)	128.5910	0.000	1	128.5910	0.000	1	128.5910	0.000	1	122.5076	6.937	8	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	3:2:3:	C[6]-3:C-3:	N[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:N-3:	N(C[6]C[6]N[6])(CC[6a]N)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC)	C(C[6a]C[6a]2)(NC[6])(NPtH)	N(C[6]C[6]N[6])(CC[6a]N)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC){1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(NC[6])(NPtH)	121.0740	0.000	1	121.0740	0.000	1	121.0740	0.000	1	121.0740	0.000	1	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	3:3:2:	C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-3:N-2:	N(C[6]C[6]2)(CC[6a]N)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC)	C(C[6a]C[6a]N[6a])(NC[6]C)(NC[6])	N(C[6]C[6]2)(CC[6a]N)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6]C)(NC[6])	122.3890	0.000	1	122.3890	0.000	1	122.3890	0.000	1	124.5240	9.116	2	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	3:3:2:	C[6]-3:C-3:	N[6]-3:C[6]-3:N-2:	N-3:N-3:N-2:	N(C[6]C[6]N[6])(CNN)	C[6](N[6]C[6]Al)(C[6]C[6]H)(NC)	C(NC[6]Al)(NC[6]Si)(NC[6])	N(C[6]C[6]N[6])(CNN)	C[6](N[6]C[6]Al)(C[6]C[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6]Al)(NC[6]Si)(NC[6])	126.6590	0.000	1	126.6590	0.000	1	126.6590	0.000	1	124.5240	9.116	2	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	3:3:2:	4:2:1:	C[6]-3:C-3:	C[6]-3:N[6]-3:N-2:	C[5]-4:N-2:O-1:	N(C[6]C[6]N[6])(CC[5]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC)	C(C[5]C[5]2Fe)(NC[6])(O)	N(C[6]C[6]N[6])(CC[5]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(NC[6])(O)	125.5620	0.000	1	125.5620	0.000	1	125.5620	0.000	1	125.5620	0.000	1	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	4:3:2:	2:3:1:	C[6]-3:C-3:	C[5,6]-4:C[6]-3:N-2:	N-2:N-3:O-1:	N(C[6]C[5,6]C[6])(CNO)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(NC)	C(NC[6])(NCC)(O)	N(C[6]C[5,6]C[6])(CNO)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(NC){2|H<1>,5|C<3>}	C(NC[6])(NCC)(O)	120.1700	0.881	2	120.1700	0.776	2	120.2190	0.395	3	120.2190	0.395	3	122.6700	14.194	62	122.6700	14.194	62
941	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:	4:3:2:	2:3:1:	C[6]-3:C-3:	C[5,6]-4:C[6]-3:N-2:	N-2:N-3:O-1:	N(C[6]C[5,6]C[6])(CNO)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(NC)	C(NC[6])(NCC)(O)	N(C[6]C[5,6]C[6])(CNO)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(NC){1|H<1>,6|C<3>}	C(NC[6])(NCC)(O)	120.3170	0.000	1	120.3170	0.000	1	120.2190	0.395	3	120.2190	0.395	3	122.6700	14.194	62	122.6700	14.194	62
941	762	941	0:SP2_SP2_SP2	N	C[6,6]	N	3:2:	4:4:2:	3:2:	C[6,6]-3:N-2:	C[3x6]-4:C[6,6]-4:N-2:	C[6,6]-3:N-2:	N(C[6,6]C[3x6]C[6,6])(NC[6,6])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NN)	N(C[6,6]C[3x6]C[6,6])(NC[6,6])	N(C[6,6]C[3x6]C[6,6])(NC[6,6])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NN){2|C<4>,4|H<1>}	N(C[6,6]C[3x6]C[6,6])(NC[6,6])	114.5210	0.000	1	113.0387	1.793	3	113.0387	1.793	3	113.1728	1.267	4	113.1728	1.267	4	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6,6]	N	3:2:	4:4:2:	3:2:	C[6,6]-3:N-2:	C[3x6]-4:C[6,6]-4:N-2:	C[6,6]-3:N-2:	N(C[6,6]C[3x6]C[6,6])(NC[6,6])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NN)	N(C[6,6]C[3x6]C[6,6])(NC[6,6])	N(C[6,6]C[3x6]C[6,6])(NC[6,6])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NN){2|C<4>,5|H<1>}	N(C[6,6]C[3x6]C[6,6])(NC[6,6])	112.2975	0.538	2	113.0387	1.793	3	113.0387	1.793	3	113.1728	1.267	4	113.1728	1.267	4	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6,6]	N	3:2:	4:4:2:	3:2:	C[6,6]-3:N-2:	C[6,6]-4:C[6,6]-4:N-2:	C[5]-3:N-2:	N(C[6,6]C[6,6]2)(NC[5])	C[6,6](C[6,6]C[6]2H)2(NN)	N(C[5]N[5]S[5])(NC[6,6])	N(C[6,6]C[6,6]2)(NC[5])	C[6,6](C[6,6]C[6]2H)2(NN){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	N(C[5]N[5]S[5])(NC[6,6])	113.5750	0.000	1	113.5750	0.000	1	113.5750	0.000	1	113.1728	1.267	4	113.1728	1.267	4	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	2:2:2:	2:1:	C[6]-3:N-2:	N[6]-2:N[6]-2:N-2:	N-2:N-1:	N(C[6]N[6]2)(NN)	C[6](N[6]N[5a,6])(N[6]N[6])(NN)	N(NC[6])(N)	N(C[6]N[6]2)(NN)	C[6](N[6]N[5a,6])(N[6]N[6])(NN){2|C<3>}	N(NC[6])(N)	115.7860	0.000	1	115.7860	0.000	1	115.7860	0.000	1	115.7860	0.000	1	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	2:2:2:	2:3:	C[6]-3:N-2:	C[6]-2:C[6]-2:N-2:	N-2:C-3:	N(C[6]C[6]2)(NC)	C[6](C[6]C[6])2(NN)	N(NC[6])(CCC)	N(C[6]C[6]2)(NC)	C[6](C[6]C[6])2(NN){1|C<3>}	N(NC[6])(CCC)	109.1530	0.000	1	109.1530	0.000	1	109.1530	0.000	1	109.1530	0.000	1	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:2:2:	3:2:	C[6]-3:N-2:	C[6]-3:C[6]-2:N-2:	C[6a]-3:N-2:	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]H)(C[6]C[6])(NN)	N(C[6a]C[6a,6a]C[6a])(NC[6])	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]H)(C[6]C[6])(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6])	112.7240	0.000	1	112.7240	0.000	1	112.7240	0.000	1	111.3920	1.402	5	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:2:2:	3:2:	C[6]-3:N-2:	N[6]-3:S[6]-2:N-2:	C-3:N-2:	N(C[6]N[6]S[6])(NC)	C[6](N[6]N[6]H)(S[6]C[6])(NN)	N(CC[6a]H)(NC[6])	N(C[6]N[6]S[6])(NC)	C[6](N[6]N[6]H)(S[6]C[6])(NN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6])	111.0590	1.063	4	111.0590	1.130	4	111.0590	1.130	4	111.3920	1.402	5	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	2:1:	C[6]-3:N-2:	C[6,6]-3:C[6]-3:N-2:	N-2:N-1:	N(C[6]C[6,6]C[6])(NN)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(NN)	N(NC[6])(N)	N(C[6]C[6,6]C[6])(NN)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(NN){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	N(NC[6])(N)	120.3530	0.000	1	120.3530	0.000	1	120.3530	0.000	1	117.4277	6.861	9	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	2:1:	C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	N-2:N-1:	N(C[6]C[6]2)(NN)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NN)	N(NC[6])(N)	N(C[6]C[6]2)(NN)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NN){1|C<3>,1|C<4>,2|N<2>}	N(NC[6])(N)	120.2190	0.000	1	120.2190	0.000	1	116.4721	4.297	7	117.4277	6.861	9	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	2:1:	C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	N-2:N-1:	N(C[6]C[6]2)(NN)	C[6](C[6]C[6]H)2(NN)	N(NC[6])(N)	N(C[6]C[6]2)(NN)	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	N(NC[6])(N)	115.8477	1.371	6	115.8477	1.880	6	116.4721	4.297	7	117.4277	6.861	9	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	2:1:	C[6]-3:N-2:	N[6]-3:C[6]-3:N-2:	N-2:N-1:	N(C[6]C[6]N[6])(NN)	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(NN)	N(NC[6])(N)	N(C[6]C[6]N[6])(NN)	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(NN){1|H<1>,2|C<3>}	N(NC[6])(N)	121.1910	0.000	1	121.1910	0.000	1	121.1910	0.000	1	117.4277	6.861	9	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	2:3:	C[6]-3:N-2:	C[6,6a]-3:N[6]-3:N-2:	N-2:C-3:	N(C[6]C[6,6a]N[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN)	N(NC[6])(CCC)	N(C[6]C[6,6a]N[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN){1|H<1>,3|C<3>}	N(NC[6])(CCC)	110.6450	0.000	1	110.6450	0.000	1	110.3483	0.548	3	111.6284	4.030	5	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	2:3:	C[6]-3:N-2:	C[6,6a]-3:N[6]-3:N-2:	N-2:C-3:	N(C[6]C[6,6a]N[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN)	N(NC[6])(CCH)	N(C[6]C[6,6a]N[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN){1|H<1>,3|C<3>}	N(NC[6])(CCH)	110.2000	0.981	2	110.2000	0.963	2	110.3483	0.548	3	111.6284	4.030	5	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	2:3:	C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	N-2:C-3:	N(C[6]C[6]2)(NC)	C[6](C[6]C[6]H)(C[6]C[6]O)(NN)	N(NC[6])(CCC)	N(C[6]C[6]2)(NC)	C[6](C[6]C[6]H)(C[6]C[6]O)(NN){2|Cl<1>,1|C<3>}	N(NC[6])(CCC)	114.7180	0.000	1	114.7180	0.000	1	114.7180	0.000	1	111.6284	4.030	5	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	2:3:	C[6]-3:N-2:	N[6]-3:N[6]-3:N-2:	N-2:C-3:	N(C[6]N[6]2)(NC)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(NN)	N(NC[6])(CCC)	N(C[6]N[6]2)(NC)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(NN){1|O<1>,2|C<3>}	N(NC[6])(CCC)	112.3790	0.000	1	112.3790	0.000	1	112.3790	0.000	1	111.6284	4.030	5	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[5a,6]-3:N[6]-3:N-2:	C-3:N-2:	N(C[6]C[5a,6]N[6])(NC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN)	N(CC[6a]C)(NC[6])	N(C[6]C[5a,6]N[6])(NC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN){1|N<3>,4|C<3>}	N(CC[6a]C)(NC[6])	111.1813	0.729	3	111.1813	0.531	3	111.5307	0.842	4	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[5a,6]-3:N[6]-3:N-2:	C-3:N-2:	N(C[6]C[5a,6]N[6])(NC)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(NN)	N(CC[6a]H)(NC[6])	N(C[6]C[5a,6]N[6])(NC)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(NN){1|H<1>,4|C<3>}	N(CC[6a]H)(NC[6])	112.5790	0.000	1	112.5790	0.000	1	111.5307	0.842	4	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[6,6a]-3:C[6]-3:N-2:	C[6a]-3:N-2:	N(C[6]C[6,6a]C[6])(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN)	N(C[6a]C[6a]2)(NC[6])	N(C[6]C[6,6a]C[6])(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN){1|H<1>,1|S<4>,3|C<3>}	N(C[6a]C[6a]2)(NC[6])	119.1750	0.000	1	118.6357	0.221	3	118.6357	0.221	3	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[6,6a]-3:C[6]-3:N-2:	C[6a]-3:N-2:	N(C[6]C[6,6a]C[6])(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN)	N(C[6a]C[6a]2)(NC[6])	N(C[6]C[6,6a]C[6])(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(NC[6])	118.3660	0.069	2	118.6357	0.221	3	118.6357	0.221	3	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[6,6a]-3:N[6]-3:N-2:	C-3:N-2:	N(C[6]C[6,6a]N[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN)	N(CC[5a]C)(NC[6])	N(C[6]C[6,6a]N[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN){1|H<1>,3|C<3>}	N(CC[5a]C)(NC[6])	111.9560	0.584	2	111.9560	0.341	2	112.0449	0.308	10	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[6,6a]-3:N[6]-3:N-2:	C-3:N-2:	N(C[6]C[6,6a]N[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN)	N(CC[6a]H)(NC[6])	N(C[6]C[6,6a]N[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN){1|H<1>,3|C<3>}	N(CC[6a]H)(NC[6])	112.0671	0.587	8	112.0671	0.344	8	112.0449	0.308	10	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	C-3:N-2:	N(C[6]C[6]2)(NC)	C[6](C[6]C[6]H)2(NN)	N(CC[6a]H)(NC[6])	N(C[6]C[6]2)(NC)	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	N(CC[6a]H)(NC[6])	112.7450	0.000	1	112.7450	0.000	1	112.7450	0.000	1	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	C[5]-3:N-2:	N(C[6]C[6]2)(NC[5])	C[6](C[6]C[6]H)2(NN)	N(C[5]N[5]2)(NC[6])	N(C[6]C[6]2)(NC[5])	C[6](C[6]C[6]H)2(NN){1|O<2>,2|C<4>}	N(C[5]N[5]2)(NC[6])	114.4165	0.869	2	114.4165	0.755	2	114.4165	0.755	2	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	C[5a]-3:N-2:	N(C[6]C[6]2)(NC[5a])	C[6](C[6]C[6]H)2(NN)	N(C[5a]N[5a]2)(NC[6])	N(C[6]C[6]2)(NC[5a])	C[6](C[6]C[6]H)2(NN){1|O<2>,2|C<4>}	N(C[5a]N[5a]2)(NC[6])	114.4850	0.602	4	114.4850	0.362	4	114.4850	0.362	4	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	C[6]-3:N-2:	N(C[6]C[6]2)(NC[6])	C[6](C[6]C[6]H)2(NN)	N(C[6]C[6]2)(NC[6])	N(C[6]C[6]2)(NC[6])	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	N(C[6]C[6]2)(NC[6])	115.4174	5.768	14	115.4174	33.275	14	115.4174	33.275	14	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NN)	N(C[6a]C[6a]2)(NC[6])	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NN){1|Cr<9>,1|H<1>,2|C<4>}	N(C[6a]C[6a]2)(NC[6])	113.4160	0.000	1	113.4160	0.000	1	114.9843	11.198	31	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]H)(C[6]C[6]O)(NN)	N(C[6a]C[6a]2)(NC[6])	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]H)(C[6]C[6]O)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])	117.9620	0.000	1	117.9620	0.000	1	114.9843	11.198	31	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]H)(C[6]N[6]N)(NN)	N(C[6a]C[6a]2)(NC[6])	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]H)(C[6]N[6]N)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])	116.3422	0.577	5	116.3422	0.333	5	114.9843	11.198	31	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]H)2(NN)	N(C[6a]C[6a]2)(NC[6])	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]H)2(NN){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6])	112.7890	0.421	2	114.4100	15.861	20	114.9843	11.198	31	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]H)2(NN)	N(C[6a]C[6a]2)(NC[6])	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]H)2(NN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6])	113.9617	0.437	3	114.4100	15.861	20	114.9843	11.198	31	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]H)2(NN)	N(C[6a]C[6a]2)(NC[6])	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])	114.3464	5.617	10	114.4100	15.861	20	114.9843	11.198	31	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]H)2(NN)	N(C[6a]C[6a]2)(NC[6])	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]H)2(NN){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(NC[6])	115.4546	1.167	5	114.4100	15.861	20	114.9843	11.198	31	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6a]O[6])(C[6]N[6]C)(NN)	N(C[6a]C[6a]2)(NC[6])	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6a]O[6])(C[6]N[6]C)(NN){1|B<4>,1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(NC[6])	117.2060	0.000	1	117.2060	0.000	1	114.9843	11.198	31	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:	N(C[6]C[6]2)(NC[6a])	C[6](C[6]N[6]C)(C[6]O[6]C)(NN)	N(C[6a]C[6a]2)(NC[6])	N(C[6]C[6]2)(NC[6a])	C[6](C[6]N[6]C)(C[6]O[6]C)(NN){1|B<4>,1|C<3>}	N(C[6a]C[6a]2)(NC[6])	116.0510	0.000	1	115.3393	0.393	3	114.9843	11.198	31	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:	N(C[6]C[6]2)(NC[6a])	C[6](C[6]N[6]C)(C[6]O[6]C)(NN)	N(C[6a]C[6a]2)(NC[6])	N(C[6]C[6]2)(NC[6a])	C[6](C[6]N[6]C)(C[6]O[6]C)(NN){1|B<4>,1|C<4>}	N(C[6a]C[6a]2)(NC[6])	114.9835	0.163	2	115.3393	0.393	3	114.9843	11.198	31	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	N[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:	N(C[6]C[6]N[6])(NC[6a])	C[6](N[6]C[6]Co)(C[6]C[6]H)(NN)	N(C[6a]C[6a]2)(NC[6])	N(C[6]C[6]N[6])(NC[6a])	C[6](N[6]C[6]Co)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])	114.8280	0.000	1	114.8280	0.000	1	113.3515	1.101	4	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:3:2:	3:2:	C[6]-3:N-2:	N[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:	N(C[6]C[6]N[6])(NC[6a])	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NN)	N(C[6a]C[6a]2)(NC[6])	N(C[6]C[6]N[6])(NC[6a])	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])	112.8593	0.445	3	112.8593	0.198	3	113.3515	1.101	4	114.4625	13.244	73	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:4:2:	2:1:	C[6]-3:N-2:	C[6]-3:C[6]-4:N-2:	N-2:N-1:	N(C[6]C[6]2)(NN)	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(NN)	N(NC[6])(N)	N(C[6]C[6]2)(NN)	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(NN){1|H<1>,2|C<3>,2|C<4>}	N(NC[6])(N)	117.2320	0.000	1	117.2320	0.000	1	117.2320	0.000	1	117.2320	0.000	1	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:4:2:	2:3:	C[6]-3:N-2:	C[6,6a]-3:C[6]-4:N-2:	N-2:C-3:	N(C[6]C[6,6a]C[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]ClH)(NN)	N(NC[6])(CCH)	N(C[6]C[6,6a]C[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]ClH)(NN){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N(NC[6])(CCH)	114.9610	0.000	1	114.9610	0.000	1	114.9610	0.000	1	114.9610	0.000	1	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:4:2:	3:2:	C[6]-3:N-2:	C[6,6a]-3:C[6]-4:N-2:	C-3:N-2:	N(C[6]C[6,6a]C[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN)	N(CC[6a]H)(NC[6])	N(C[6]C[6,6a]C[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N(CC[6a]H)(NC[6])	112.1480	0.115	2	112.9442	0.762	13	113.4020	1.059	26	113.7883	2.326	31	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:4:2:	3:2:	C[6]-3:N-2:	C[6,6a]-3:C[6]-4:N-2:	C-3:N-2:	N(C[6]C[6,6a]C[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN)	N(CC[6a]H)(NC[6])	N(C[6]C[6,6a]C[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN){1|H<1>,1|S<4>,2|C<3>}	N(CC[6a]H)(NC[6])	114.5830	0.000	1	112.9442	0.762	13	113.4020	1.059	26	113.7883	2.326	31	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:4:2:	3:2:	C[6]-3:N-2:	C[6,6a]-3:C[6]-4:N-2:	C-3:N-2:	N(C[6]C[6,6a]C[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN)	N(CC[6a]H)(NC[6])	N(C[6]C[6,6a]C[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN){1|S<4>,2|C<3>,2|H<1>}	N(CC[6a]H)(NC[6])	112.9395	0.758	10	112.9442	0.762	13	113.4020	1.059	26	113.7883	2.326	31	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:4:2:	3:2:	C[6]-3:N-2:	C[6,6a]-3:C[6]-4:N-2:	C-3:N-2:	N(C[6]C[6,6a]C[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]ClH)(NN)	N(CC[6a]H)(NC[6])	N(C[6]C[6,6a]C[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]ClH)(NN){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N(CC[6a]H)(NC[6])	114.0902	1.508	5	114.0902	2.276	5	113.4020	1.059	26	113.7883	2.326	31	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:4:2:	3:2:	C[6]-3:N-2:	C[6,6a]-3:C[6]-4:N-2:	C-3:N-2:	N(C[6]C[6,6a]C[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN)	N(CC[6a]C)(NC[6])	N(C[6]C[6,6a]C[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N(CC[6a]C)(NC[6])	113.5373	0.672	4	113.5373	0.452	4	113.4020	1.059	26	113.7883	2.326	31	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:4:2:	3:2:	C[6]-3:N-2:	C[6,6a]-3:C[6]-4:N-2:	C-3:N-2:	N(C[6]C[6,6a]C[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN)	N(CC[6a]H)(NC[6])	N(C[6]C[6,6a]C[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N(CC[6a]H)(NC[6])	113.8942	0.498	4	113.8942	0.248	4	113.4020	1.059	26	113.7883	2.326	31	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:4:2:	3:2:	C[6]-3:N-2:	C[6,6a]-3:C[6]-4:N-2:	C[5a]-3:N-2:	N(C[6]C[6,6a]C[6])(NC[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	N(C[5a]N[5a]S[5a])(NC[6])	N(C[6]C[6,6a]C[6])(NC[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,3|H<1>}	N(C[5a]N[5a]S[5a])(NC[6])	114.8830	0.000	1	114.8830	0.000	1	114.8830	0.000	1	113.7883	2.326	31	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:4:2:	3:2:	C[6]-3:N-2:	C[6,6a]-3:C[6]-4:N-2:	C[6]-3:N-2:	N(C[6]C[6,6a]C[6])(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN)	N(C[6]C[6]2)(NC[6])	N(C[6]C[6,6a]C[6])(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N(C[6]C[6]2)(NC[6])	114.0390	1.486	2	114.0390	2.209	2	114.0390	2.209	2	113.7883	2.326	31	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	3:4:2:	3:2:	C[6]-3:N-2:	C[6]-3:C[6]-4:N-2:	C[6]-3:N-2:	N(C[6]C[6]2)(NC[6])	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NN)	N(C[6]C[6]2)(NC[6])	N(C[6]C[6]2)(NC[6])	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NN){2|C<4>,2|H<1>}	N(C[6]C[6]2)(NC[6])	118.0120	0.448	2	118.0120	0.201	2	118.0120	0.201	2	113.7883	2.326	31	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	4:3:2:	3:2:	C[6]-3:N-2:	C[6]-4:C[6]-3:N-2:	C[5]-3:N-2:	N(C[6]C[6]2)(NC[5])	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NN)	N(C[5]N[5]S[5])(NC[6])	N(C[6]C[6]2)(NC[5])	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NN){1|H<1>,3|C<4>}	N(C[5]N[5]S[5])(NC[6])	113.7280	0.000	1	113.7280	0.000	1	113.7280	0.000	1	114.3945	0.888	2	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	4:3:2:	3:2:	C[6]-3:N-2:	C[6]-4:C[6]-3:N-2:	C[6a]-3:N-2:	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]HH)(C[6]N[6]H)(NN)	N(C[6a]C[6a]2)(NC[6])	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]HH)(C[6]N[6]H)(NN){2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])	115.0610	0.000	1	115.0610	0.000	1	115.0610	0.000	1	114.3945	0.888	2	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	4:4:2:	3:2:	C[6]-3:N-2:	C[6]-4:C[6]-4:N-2:	C-3:N-2:	N(C[6]C[6]2)(NC)	C[6](C[6]C[6]HH)2(NN)	N(CC[5a]O)(NC[6])	N(C[6]C[6]2)(NC)	C[6](C[6]C[6]HH)2(NN){1|C<4>,4|H<1>}	N(CC[5a]O)(NC[6])	116.5630	0.000	1	116.5630	0.000	1	116.5630	0.000	1	115.0727	3.143	3	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	4:4:2:	3:2:	C[6]-3:N-2:	C[6]-4:C[6]-4:N-2:	C[6]-3:N-2:	N(C[6]C[6]2)(NC[6])	C[6](C[6]C[6]HH)2(NN)	N(C[6]C[6,6a]C[6])(NC[6])	N(C[6]C[6]2)(NC[6])	C[6](C[6]C[6]HH)2(NN){1|C<4>,4|H<1>}	N(C[6]C[6,6a]C[6])(NC[6])	114.3275	1.719	2	114.3275	2.955	2	114.3275	2.955	2	115.0727	3.143	3	114.3089	10.068	133	114.2757	9.836	137
941	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:	4:4:2:	4:2:	C[6]-3:N-2:	C[6]-4:C[6]-4:N-2:	S-4:N-2:	N(C[6]C[6]2)(NS)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)	N(SC[6a]OO)(NC[6])	N(C[6]C[6]2)(NS)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN){1|H<1>,1|N<3>,3|C<4>}	N(SC[6a]OO)(NC[6])	116.7950	0.000	1	116.7950	0.000	1	116.7950	0.000	1	116.7950	0.000	1	114.3089	10.068	133	114.2757	9.836	137
941	762	945	0:SP2_SP2_SP3	N	C[6]	P	3:3:	4:2:2:	2:4:4:	C[6]-3:P-3:	P[6]-4:N[6]-2:N-2:	N-2:C-4:C-4:	N(C[6]N[6]P[6])(PCC)	C[6](P[6]N[6]CC)(N[6]P[6])(NP)	P(NC[6])(CCCH)2	N(C[6]N[6]P[6])(PCC)	C[6](P[6]N[6]CC)(N[6]P[6])(NP){1|C<3>,2|C<4>}	P(NC[6])(CCCH)2	118.6600	0.000	1	118.6600	0.000	1	118.6600	0.000	1	118.6600	0.000	1	118.6600	0.000	1	118.6600	0.000	1
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	2:2:2:	2:	C[6]-3:H-1:	N[6]-2:N[6]-2:N-2:	N-2:	N(C[6]N[6]2)(H)	C[6](N[6]C[5,6])(N[6]C[6])(NH)	H(NC[6])	N(C[6]N[6]2)(H)	C[6](N[6]C[5,6])(N[6]C[6])(NH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6])	116.3765	4.348	2	116.3765	18.905	2	119.2667	13.545	6	119.7796	13.129	7	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	2:2:2:	2:	C[6]-3:H-1:	N[6]-2:N[6]-2:N-2:	N-2:	N(C[6]N[6]2)(H)	C[6](N[6]C[6])2(NH)	H(NC[6])	N(C[6]N[6]2)(H)	C[6](N[6]C[6])2(NH){1|C<4>,1|N<2>,1|N<3>}	H(NC[6])	120.5040	0.000	1	120.7117	7.920	4	119.2667	13.545	6	119.7796	13.129	7	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	2:2:2:	2:	C[6]-3:H-1:	N[6]-2:N[6]-2:N-2:	N-2:	N(C[6]N[6]2)(H)	C[6](N[6]C[6])2(NH)	H(NC[6])	N(C[6]N[6]2)(H)	C[6](N[6]C[6])2(NH){1|N<3>,2|N<2>}	H(NC[6])	116.9790	0.000	1	120.7117	7.920	4	119.2667	13.545	6	119.7796	13.129	7	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	2:2:2:	2:	C[6]-3:H-1:	N[6]-2:N[6]-2:N-2:	N-2:	N(C[6]N[6]2)(H)	C[6](N[6]C[6])2(NH)	H(NC[6])	N(C[6]N[6]2)(H)	C[6](N[6]C[6])2(NH){3|N<3>}	H(NC[6])	122.6820	1.421	2	120.7117	7.920	4	119.2667	13.545	6	119.7796	13.129	7	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	2:2:2:	2:	C[6]-3:H-1:	N[6]-2:S[6]-2:N-2:	N-2:	N(C[6]N[6]S[6])(H)	C[6](N[6]C[6])(S[6]C[6])(NH)	H(NC[6])	N(C[6]N[6]S[6])(H)	C[6](N[6]C[6])(S[6]C[6])(NH){1|N<3>,1|S<2>,2|H<1>}	H(NC[6])	122.8570	0.000	1	122.8570	0.000	1	122.8570	0.000	1	119.7796	13.129	7	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	2:3:2:	2:	C[6]-3:H-1:	O[6]-2:C[6]-3:N-2:	N-2:	N(C[6]C[6]O[6])(H)	C[6](O[6]C[5,6])(C[6]C[6]C)(NH)	H(NC[6])	N(C[6]C[6]O[6])(H)	C[6](O[6]C[5,6])(C[6]C[6]C)(NH){1|H<1>,3|C<3>}	H(NC[6])	120.5490	0.000	1	120.5490	0.000	1	116.7613	40.196	3	116.7613	40.196	3	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	2:3:2:	2:	C[6]-3:H-1:	O[6]-2:C[6]-3:N-2:	N-2:	N(C[6]C[6]O[6])(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH)	H(NC[6])	N(C[6]C[6]O[6])(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH){1|C<4>,3|C<3>}	H(NC[6])	120.2930	0.000	1	114.8675	58.872	2	116.7613	40.196	3	116.7613	40.196	3	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	2:3:2:	2:	C[6]-3:H-1:	O[6]-2:C[6]-3:N-2:	N-2:	N(C[6]C[6]O[6])(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH)	H(NC[6])	N(C[6]C[6]O[6])(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH){1|H<1>,2|C<3>}	H(NC[6])	109.4420	0.000	1	114.8675	58.872	2	116.7613	40.196	3	116.7613	40.196	3	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:2:2:	2:	C[6]-3:H-1:	C[5a,6]-3:N[6]-2:N-2:	N-2:	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH)	H(NC[6])	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6])	118.4030	0.000	1	117.1870	2.957	2	117.1870	2.957	2	117.8095	18.109	17	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:2:2:	2:	C[6]-3:H-1:	C[5a,6]-3:N[6]-2:N-2:	N-2:	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH)	H(NC[6])	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH){1|C<3>,1|H<1>,2|N<3>}	H(NC[6])	115.9710	0.000	1	117.1870	2.957	2	117.1870	2.957	2	117.8095	18.109	17	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:2:2:	2:	C[6]-3:H-1:	C[6]-3:O[6]-2:N-2:	N-2:	N(C[6]C[6]O[6])(H)	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH)	H(NC[6])	N(C[6]C[6]O[6])(H)	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(NC[6])	112.6410	0.000	1	115.5365	16.768	2	115.5365	16.768	2	117.8095	18.109	17	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:2:2:	2:	C[6]-3:H-1:	C[6]-3:O[6]-2:N-2:	N-2:	N(C[6]C[6]O[6])(H)	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH)	H(NC[6])	N(C[6]C[6]O[6])(H)	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	H(NC[6])	118.4320	0.000	1	115.5365	16.768	2	115.5365	16.768	2	117.8095	18.109	17	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:2:2:	2:	C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N-2:	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	H(NC[6])	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<3>,2|C<4>}	H(NC[6])	120.9870	0.000	1	119.7352	9.724	11	118.2549	21.361	13	117.8095	18.109	17	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:2:2:	2:	C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N-2:	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	H(NC[6])	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<3>,2|H<1>}	H(NC[6])	123.0725	6.418	2	119.7352	9.724	11	118.2549	21.361	13	117.8095	18.109	17	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:2:2:	2:	C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N-2:	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	H(NC[6])	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<3>,2|N<3>}	H(NC[6])	117.8270	0.000	2	119.7352	9.724	11	118.2549	21.361	13	117.8095	18.109	17	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:2:2:	2:	C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N-2:	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	H(NC[6])	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<4>,1|N<2>,1|N<3>}	H(NC[6])	122.6180	0.000	1	119.7352	9.724	11	118.2549	21.361	13	117.8095	18.109	17	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:2:2:	2:	C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N-2:	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	H(NC[6])	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<4>,2|N<2>}	H(NC[6])	116.6620	0.000	1	119.7352	9.724	11	118.2549	21.361	13	117.8095	18.109	17	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:2:2:	2:	C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N-2:	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	H(NC[6])	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<4>,4|H<1>}	H(NC[6])	117.4180	0.000	1	119.7352	9.724	11	118.2549	21.361	13	117.8095	18.109	17	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:2:2:	2:	C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N-2:	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	H(NC[6])	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|N<2>,2|N<3>}	H(NC[6])	119.8800	0.000	1	119.7352	9.724	11	118.2549	21.361	13	117.8095	18.109	17	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:2:2:	2:	C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N-2:	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	H(NC[6])	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH){3|N<2>}	H(NC[6])	118.8615	0.499	2	119.7352	9.724	11	118.2549	21.361	13	117.8095	18.109	17	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:2:2:	2:	C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N-2:	N(C[6]N[6]2)(H)	C[6](N[6]C[6]Zn)(N[6]C[6])(NH)	H(NC[6])	N(C[6]N[6]2)(H)	C[6](N[6]C[6]Zn)(N[6]C[6])(NH){1|C<3>,2|H<1>}	H(NC[6])	110.1135	1.555	2	110.1135	2.418	2	118.2549	21.361	13	117.8095	18.109	17	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[5a,6]-3:C[6]-3:N-2:	N-2:	N(C[6]C[5a,6]C[6])(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]O)(NH)	H(NC[6])	N(C[6]C[5a,6]C[6])(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]O)(NH){1|H<1>,3|C<3>}	H(NC[6])	107.8820	0.000	1	107.8820	0.000	1	107.8820	0.000	1	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-2:	N-2:	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6a]C[6])(NH)	H(NC[6])	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6a]C[6])(NH){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|N<2>}	H(NC[6])	110.9970	0.430	2	110.9970	0.185	2	115.9256	50.100	9	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-2:	N-2:	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NH)	H(NC[6])	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NH){1|H<1>,1|N<3>,2|N<2>}	H(NC[6])	113.7394	5.059	5	113.7394	25.594	5	115.9256	50.100	9	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-2:	N-2:	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH)	H(NC[6])	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6])	126.3195	3.113	2	126.3195	9.693	2	115.9256	50.100	9	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-2:	N-2:	N(C[6]C[6,6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NH)	H(NC[6])	N(C[6]C[6,6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NH){1|N<3>,2|H<1>,4|C<3>}	H(NC[6])	120.9670	0.000	1	120.9670	0.000	1	120.9670	0.000	1	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NH)	H(NC[6])	N(C[6]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6])	111.2720	0.000	1	111.2720	0.000	1	111.2720	0.000	1	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6,6a]-3:N[6]-3:N-2:	N-2:	N(C[6]C[6,6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	H(NC[6])	N(C[6]C[6,6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	H(NC[6])	112.0210	0.000	1	111.6109	36.000	8	111.6109	36.000	8	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6,6a]-3:N[6]-3:N-2:	N-2:	N(C[6]C[6,6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	H(NC[6])	N(C[6]C[6,6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(NC[6])	107.9780	1.431	2	111.6109	36.000	8	111.6109	36.000	8	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6,6a]-3:N[6]-3:N-2:	N-2:	N(C[6]C[6,6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	H(NC[6])	N(C[6]C[6,6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	H(NC[6])	109.4350	0.000	1	111.6109	36.000	8	111.6109	36.000	8	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6,6a]-3:N[6]-3:N-2:	N-2:	N(C[6]C[6,6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	H(NC[6])	N(C[6]C[6,6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|H<1>,1|N<2>,5|C<3>}	H(NC[6])	113.8688	8.129	4	111.6109	36.000	8	111.6109	36.000	8	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH)	H(NC[6])	N(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6])	112.5430	0.000	1	114.9564	28.450	5	115.4996	23.981	8	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH)	H(NC[6])	N(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH){1|C<3>,2|H<1>}	H(NC[6])	120.7195	0.145	2	114.9564	28.450	5	115.4996	23.981	8	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH)	H(NC[6])	N(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH){1|Pd<4>,1|C<3>,1|H<1>}	H(NC[6])	110.4000	0.069	2	114.9564	28.450	5	115.4996	23.981	8	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(NH)	H(NC[6])	N(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(NH){1|N<3>,2|H<1>}	H(NC[6])	118.3440	5.251	2	118.3440	27.573	2	115.4996	23.981	8	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6]2)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(NH)	H(NC[6])	N(C[6]C[6]2)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(NH){1|C<3>,2|H<1>}	H(NC[6])	112.5270	0.000	1	112.5270	0.000	1	115.4996	23.981	8	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6])	124.4890	3.777	2	120.1500	63.615	3	116.3772	29.804	33	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	H(NC[6])	111.4720	0.000	1	120.1500	63.615	3	116.3772	29.804	33	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6])	109.1020	0.000	1	108.1343	1.309	6	116.3772	29.804	33	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH){1|C<4>,2|C<3>}	H(NC[6])	107.7793	1.278	4	108.1343	1.309	6	116.3772	29.804	33	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH){1|H<1>,2|C<3>}	H(NC[6])	108.5870	0.000	1	108.1343	1.309	6	116.3772	29.804	33	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	H(NC[6])	118.8700	0.000	1	118.8700	0.000	1	116.3772	29.804	33	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6])	115.8595	0.880	2	115.8595	0.775	2	116.3772	29.804	33	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6])	118.0300	0.000	1	118.4589	13.205	20	116.3772	29.804	33	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6])	114.6645	6.381	4	118.4589	13.205	20	116.3772	29.804	33	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6])	119.1497	0.890	3	118.4589	13.205	20	116.3772	29.804	33	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	H(NC[6])	120.2653	2.556	4	118.4589	13.205	20	116.3772	29.804	33	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6])	120.4783	2.356	4	118.4589	13.205	20	116.3772	29.804	33	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|H<1>,1|N<3>,1|S<1>}	H(NC[6])	118.1107	0.854	3	118.4589	13.205	20	116.3772	29.804	33	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){3|N<3>}	H(NC[6])	117.7340	0.000	1	118.4589	13.205	20	116.3772	29.804	33	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N)(N[6]C[6]O)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N)(N[6]C[6]O)(NH){1|C<2>,1|H<1>,1|N<2>}	H(NC[6])	111.4270	0.000	1	111.4270	0.000	1	116.3772	29.804	33	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	N[5,6]-3:C[6]-3:N-2:	N-2:	N(C[6]N[5,6]C[6])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(NH)	H(NC[6])	N(C[6]N[5,6]C[6])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(NH){1|N<3>,2|H<1>,5|C<4>}	H(NC[6])	114.4600	0.000	1	114.4600	0.000	1	111.6960	15.279	2	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	N[5,6]-3:C[6]-3:N-2:	N-2:	N(C[6]N[5,6]C[6])(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(NH)	H(NC[6])	N(C[6]N[5,6]C[6])(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(NH){1|C<2>,1|C<4>,3|C<3>}	H(NC[6])	108.9320	0.000	1	108.9320	0.000	1	111.6960	15.279	2	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	N[5a,6]-3:C[6,6a]-3:N-2:	N-2:	N(C[6]C[6,6a]N[5a,6])(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(NH)	H(NC[6])	N(C[6]C[6,6a]N[5a,6])(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(NH){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	H(NC[6])	110.8680	0.000	1	110.8680	0.000	1	110.8680	0.000	1	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	N[6,6]-3:C[6]-3:N-2:	N-2:	N(C[6]N[6,6]C[6])(H)	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]C[6]C)(NH)	H(NC[6])	N(C[6]N[6,6]C[6])(H)	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]C[6]C)(NH){5|C<3>}	H(NC[6])	111.9260	2.845	3	111.9260	8.093	3	111.4185	6.426	4	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	N[6,6]-3:C[6]-3:N-2:	N-2:	N(C[6]N[6,6]C[6])(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NH)	H(NC[6])	N(C[6]N[6,6]C[6])(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NH){1|C<4>,2|H<1>,3|C<3>}	H(NC[6])	109.8960	0.000	1	109.8960	0.000	1	111.4185	6.426	4	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6])	114.5600	0.000	1	114.5600	0.000	1	116.7802	22.812	6	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NH){1|C<3>,2|H<1>}	H(NC[6])	121.9080	0.365	2	121.9080	0.133	2	116.7802	22.812	6	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6])	116.5130	0.000	2	116.5130	0.000	2	116.7802	22.812	6	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NH){1|O<1>,2|C<3>,2|C<4>}	H(NC[6])	109.2790	0.000	1	109.2790	0.000	1	116.7802	22.812	6	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	N[6]-3:N[6]-3:N-2:	N-2:	N(C[6]N[6]2)(H)	C[6](N[6]C[6]Co)2(NH)	H(NC[6])	N(C[6]N[6]2)(H)	C[6](N[6]C[6]Co)2(NH){1|N<2>,2|C<3>}	H(NC[6])	119.1898	0.548	6	119.1898	0.300	6	119.4674	0.790	7	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	N[6]-3:N[6]-3:N-2:	N-2:	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)2(NH)	H(NC[6])	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)2(NH){1|N<2>,2|N<3>}	H(NC[6])	121.1330	0.000	1	121.1330	0.000	1	119.4674	0.790	7	115.5268	30.232	81	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:4:2:	2:	C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:N-2:	N-2:	N(C[6]C[6,6a]C[6,6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]2)(NH)	H(NC[6])	N(C[6]C[6,6a]C[6,6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]2)(NH){1|N<3>,3|H<1>,5|C<3>}	H(NC[6])	110.6160	0.000	1	110.6160	0.000	1	110.6160	0.000	1	109.2010	4.004	2	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	3:4:2:	2:	C[6]-3:H-1:	N[6]-3:C[6]-4:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(NH){1|H<1>,5|C<3>}	H(NC[6])	107.7860	0.000	1	107.7860	0.000	1	107.7860	0.000	1	109.2010	4.004	2	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	4:2:2:	2:	C[6]-3:H-1:	C[5,6]-4:O[6]-2:N-2:	N-2:	N(C[6]C[5,6]O[6])(H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(NH)	H(NC[6])	N(C[6]C[5,6]O[6])(H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(NH){1|C<3>,2|C<4>,5|H<1>}	H(NC[6])	116.6510	5.569	2	116.6510	31.016	2	116.6510	31.016	2	113.8283	39.410	3	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	4:2:2:	2:	C[6]-3:H-1:	C[6]-4:N[6]-2:N-2:	N-2:	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NH)	H(NC[6])	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NH){1|N<3>,2|C<3>}	H(NC[6])	108.1830	0.000	1	108.1830	0.000	1	108.1830	0.000	1	113.8283	39.410	3	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	4:3:2:	2:	C[6]-3:H-1:	C[5,6]-4:C[6]-3:N-2:	N-2:	N(C[6]C[5,6]C[6])(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH)	H(NC[6])	N(C[6]C[5,6]C[6])(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(NC[6])	111.7671	1.874	7	111.7671	3.513	7	111.7671	3.513	7	111.6391	3.142	8	115.7204	28.309	121	115.7204	28.309	121
941	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:	4:3:2:	2:	C[6]-3:H-1:	C[6]-4:C[6]-3:N-2:	N-2:	N(C[6]C[6]2)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NH)	H(NC[6])	N(C[6]C[6]2)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NH){1|C<3>,1|H<1>,2|C<4>}	H(NC[6])	110.7430	0.000	1	110.7430	0.000	1	110.7430	0.000	1	111.6391	3.142	8	115.7204	28.309	121	115.7204	28.309	121
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	2:3:2:	3:2:1:1:	C[6]-3:S-4:	O[6]-2:C[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]O[6])(SC[6a]OO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]O[6])(SC[6a]OO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NS){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(NC[6])(O)2	122.8290	0.000	1	122.8290	0.000	1	122.8290	0.000	1	122.8290	0.000	1	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:2:2:	3:2:1:1:	C[6]-3:S-4:	C[6,6a]-3:O[6]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6,6a]O[6])(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6,6a]O[6])(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS){1|C<4>,1|H<1>,3|C<3>}	S(C[6a]C[6a]2)(NC[6])(O)2	122.4120	0.000	1	121.7347	0.999	3	121.7347	0.999	3	121.6294	2.330	30	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:2:2:	3:2:1:1:	C[6]-3:S-4:	C[6,6a]-3:O[6]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6,6a]O[6])(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6,6a]O[6])(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS){1|C<4>,2|C<3>,3|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	122.2050	0.000	1	121.7347	0.999	3	121.7347	0.999	3	121.6294	2.330	30	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:2:2:	3:2:1:1:	C[6]-3:S-4:	C[6,6a]-3:O[6]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6,6a]O[6])(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6,6a]O[6])(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS){1|H<1>,4|C<3>}	S(C[6a]C[6a]2)(NC[6])(O)2	120.5870	0.000	1	121.7347	0.999	3	121.7347	0.999	3	121.6294	2.330	30	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:2:2:	3:2:1:1:	C[6]-3:S-4:	C[6]-3:O[6]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]O[6])(SC[6a]OO)	C[6](C[6]C[6,6a]N)(O[6]C[6])(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]O[6])(SC[6a]OO)	C[6](C[6]C[6,6a]N)(O[6]C[6])(NS){2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	119.9150	0.668	2	119.9150	0.446	2	119.7738	0.904	4	121.6294	2.330	30	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:2:2:	3:2:1:1:	C[6]-3:S-4:	C[6]-3:O[6]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]O[6])(SC[6a]OO)	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]O[6])(SC[6a]OO)	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(NS){5|C<3>}	S(C[6a]C[6a]2)(NC[6])(O)2	120.6780	0.000	1	120.6780	0.000	1	119.7738	0.904	4	121.6294	2.330	30	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:2:2:	3:2:1:1:	C[6]-3:S-4:	C[6]-3:O[6]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]O[6])(SC[6a]OO)	C[6](C[6]C[6a]C[6])(O[6]C[6])(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]O[6])(SC[6a]OO)	C[6](C[6]C[6a]C[6])(O[6]C[6])(NS){1|H<1>,4|C<3>}	S(C[6a]C[6a]2)(NC[6])(O)2	118.5870	0.000	1	118.5870	0.000	1	119.7738	0.904	4	121.6294	2.330	30	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:2:2:	3:2:1:1:	C[6]-3:S-4:	N[6]-3:N[6]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]N[6]2)(SC[6a]OO)	C[6](N[6]C[6]H)(N[6]C[6])(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]N[6]2)(SC[6a]OO)	C[6](N[6]C[6]H)(N[6]C[6])(NS){1|C<3>,2|C<4>}	S(C[6a]C[6a]2)(NC[6])(O)2	122.1698	1.333	13	121.9384	2.130	23	121.9384	2.130	23	121.6294	2.330	30	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:2:2:	3:2:1:1:	C[6]-3:S-4:	N[6]-3:N[6]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]N[6]2)(SC[6a]OO)	C[6](N[6]C[6]H)(N[6]C[6])(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]N[6]2)(SC[6a]OO)	C[6](N[6]C[6]H)(N[6]C[6])(NS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	121.6375	1.631	10	121.9384	2.130	23	121.9384	2.130	23	121.6294	2.330	30	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:3:2:	2:4:1:1:	C[6]-3:S-4:	C[6]-3:C[6]-3:N-2:	N-2:C-4:O-1:O-1:	N(C[6]C[6]2)(SCOO)	C[6](C[6]C[6]H)(C[6]C[6]O)(NS)	S(NC[6])(CH3)(O)2	N(C[6]C[6]2)(SCOO)	C[6](C[6]C[6]H)(C[6]C[6]O)(NS){1|N<3>,2|H<1>}	S(NC[6])(CH3)(O)2	120.8320	0.000	1	120.8320	0.000	1	122.5785	6.101	2	122.5785	6.101	2	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:3:2:	2:4:1:1:	C[6]-3:S-4:	C[6]-3:C[6]-3:N-2:	N-2:C-4:O-1:O-1:	N(C[6]C[6]2)(SCOO)	C[6](C[6]C[6]H)2(NS)	S(NC[6])(CF3)(O)2	N(C[6]C[6]2)(SCOO)	C[6](C[6]C[6]H)2(NS){1|N<3>,2|H<1>}	S(NC[6])(CF3)(O)2	124.3250	0.000	1	124.3250	0.000	1	122.5785	6.101	2	122.5785	6.101	2	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:3:2:	3:2:1:1:	C[6]-3:S-4:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]2)(SC[6a]OO)	C[6](C[6]C[6]H)2(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]2)(SC[6a]OO)	C[6](C[6]C[6]H)2(NS){1|N<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	122.9751	1.497	9	122.9751	2.241	9	122.9751	2.241	9	121.6020	3.770	58	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:3:2:	3:2:1:1:	C[6]-3:S-4:	C[6]-3:N[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]H)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	122.8483	2.238	3	122.8483	5.010	3	121.3604	3.700	46	121.6020	3.770	58	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:3:2:	3:2:1:1:	C[6]-3:S-4:	C[6]-3:N[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]C)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]C)(NS){1|C<4>,3|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	122.1050	0.300	2	122.1050	0.090	2	121.3604	3.700	46	121.6020	3.770	58	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:3:2:	3:2:1:1:	C[6]-3:S-4:	C[6]-3:N[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	120.6644	2.687	5	120.9113	2.636	38	121.3604	3.700	46	121.6020	3.770	58	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:3:2:	3:2:1:1:	C[6]-3:S-4:	C[6]-3:N[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|H<1>,1|N<2>}	S(C[6a]C[6a]2)(NC[6])(O)2	121.3195	0.088	2	120.9113	2.636	38	121.3604	3.700	46	121.6020	3.770	58	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:3:2:	3:2:1:1:	C[6]-3:S-4:	C[6]-3:N[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)(NC[6])(O)2	119.0726	0.957	8	120.9113	2.636	38	121.3604	3.700	46	121.6020	3.770	58	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:3:2:	3:2:1:1:	C[6]-3:S-4:	C[6]-3:N[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	121.5690	1.058	23	120.9113	2.636	38	121.3604	3.700	46	121.6020	3.770	58	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:3:2:	3:2:1:1:	C[6]-3:S-4:	C[6]-3:N[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(NS){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	123.9220	0.000	1	123.9220	0.000	1	121.3604	3.700	46	121.6020	3.770	58	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:3:2:	3:2:1:1:	C[6]-3:S-4:	C[6]-3:N[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6a]C[6])(N[6]C[6,6]H)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6a]C[6])(N[6]C[6,6]H)(NS){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	S(C[6a]C[6a]2)(NC[6])(O)2	125.2320	0.000	1	125.2320	0.000	1	121.3604	3.700	46	121.6020	3.770	58	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:3:2:	3:2:1:1:	C[6]-3:S-4:	C[6]-3:N[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(NS){1|H<1>,1|N<3>,5|C<3>}	S(C[6a]C[6a]2)(NC[6])(O)2	126.0400	0.000	1	126.0400	0.000	1	121.3604	3.700	46	121.6020	3.770	58	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:3:2:	3:2:1:1:	C[6]-3:S-4:	N[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(NS){1|C<4>,2|C<3>}	S(C[6a]C[6a]2)(NC[6])(O)2	122.7100	0.000	1	122.7100	0.000	1	120.6460	8.520	2	121.6020	3.770	58	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:3:2:	3:2:1:1:	C[6]-3:S-4:	N[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(NS){1|H<1>,1|N<2>,3|C<3>}	S(C[6a]C[6a]2)(NC[6])(O)2	118.5820	0.000	1	118.5820	0.000	1	120.6460	8.520	2	121.6020	3.770	58	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:3:2:	3:2:1:1:	C[6]-3:S-4:	N[6]-3:N[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]N[6]2)(SC[6a]OO)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]N[6]2)(SC[6a]OO)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NS){1|C<3>,1|C<4>,3|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	122.2670	0.000	1	122.2670	0.000	1	122.2670	0.000	1	121.6020	3.770	58	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:4:2:	2:4:1:1:	C[6]-3:S-4:	C[6,6a]-3:C[6]-4:N-2:	N-2:C-4:O-1:O-1:	N(C[6]C[6,6a]C[6])(SCOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)	S(NC[6])(CC3)(O)2	N(C[6]C[6,6a]C[6])(SCOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS){1|C<4>,2|C<3>,3|H<1>}	S(NC[6])(CC3)(O)2	123.2355	2.726	2	123.2355	7.431	2	123.2355	7.431	2	123.2355	7.431	2	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	3:4:2:	3:2:1:1:	C[6]-3:S-4:	C[5a,6]-3:C[6]-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[5a,6]C[6])(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[5a,6]C[6])(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NS){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	S(C[6a]C[6a]2)(NC[6])(O)2	120.5000	0.000	1	120.5000	0.000	1	120.5000	0.000	1	120.5000	0.000	1	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	4:2:2:	3:2:1:1:	C[6]-3:S-4:	C[3,6]-4:O[6]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[3,6]O[6])(SC[6a]OO)	C[6](C[3,6]C[6,6a]C[3,5]2)(O[6]C[6])(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[3,6]O[6])(SC[6a]OO)	C[6](C[3,6]C[6,6a]C[3,5]2)(O[6]C[6])(NS){1|C<4>,3|C<3>,4|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	120.4885	3.484	2	120.4885	12.138	2	120.2137	6.295	3	120.2137	6.295	3	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	4:2:2:	3:2:1:1:	C[6]-3:S-4:	C[3,6]-4:O[6]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[3,6]O[6])(SC[6a]OO)	C[6](C[3,6]C[6,6a]C[3]2)(O[6]C[6])(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[3,6]O[6])(SC[6a]OO)	C[6](C[3,6]C[6,6a]C[3]2)(O[6]C[6])(NS){3|C<3>,5|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	119.6640	0.000	1	119.6640	0.000	1	120.2137	6.295	3	120.2137	6.295	3	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	4:3:2:	3:2:1:1:	C[6]-3:S-4:	C[3,6]-4:C[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[3,6]C[6])(SC[6a]OO)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[3,6]C[6])(SC[6a]OO)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(NS){2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(NC[6])(O)2	121.2910	3.084	2	121.2910	9.514	2	121.2910	9.514	2	122.4714	6.369	7	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	4:3:2:	3:2:1:1:	C[6]-3:S-4:	C[6]-4:C[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]2)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]2)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NS){1|C<3>,1|N<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	121.8840	0.000	1	121.8840	0.000	1	121.8840	0.000	1	122.4714	6.369	7	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	4:3:2:	3:2:1:1:	C[6]-3:S-4:	C[6]-4:N[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(NS){2|H<1>,4|C<3>}	S(C[6a]C[6a]2)(NC[6])(O)2	119.9610	0.000	1	119.9610	0.000	1	123.2085	7.799	4	122.4714	6.369	7	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	4:3:2:	3:2:1:1:	C[6]-3:S-4:	C[6]-4:N[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS){1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	126.4640	0.000	1	125.3650	2.416	2	123.2085	7.799	4	122.4714	6.369	7	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	4:3:2:	3:2:1:1:	C[6]-3:S-4:	C[6]-4:N[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS){2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6])(O)2	124.2660	0.000	1	125.3650	2.416	2	123.2085	7.799	4	122.4714	6.369	7	121.6797	3.565	104	121.6797	3.565	104
941	762	952	0:SP2_SP2_SP3	N	C[6]	S	3:4:	4:3:2:	3:2:1:1:	C[6]-3:S-4:	C[6]-4:N[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]H)(NS)	S(C[6a]C[6a]2)(NC[6])(O)2	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]H)(NS){1|H<1>,1|N<3>,1|O<1>,1|P<4>}	S(C[6a]C[6a]2)(NC[6])(O)2	122.1430	0.000	1	122.1430	0.000	1	123.2085	7.799	4	122.4714	6.369	7	121.6797	3.565	104	121.6797	3.565	104
941	762	955	0:SP2_SP2_SP3	N	C[6]	P[5]	4:3:	3:2:2:	3:3:2:3:	P[5]-4:C[6]-3:	C[6]-3:C[6]-2:N-2:	N[5,5]-3:N[5]-3:N-2:N-3:	N(P[5]N[5,5]N[5]N)(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(NP[5])	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(NC[6])(NCC)	N(P[5]N[5,5]N[5]N)(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(NP[5]){1|C<3>,1|H<1>}	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(NC[6])(NCC){2|C<3>,2|C<4>,5|H<1>}	125.8440	0.000	1	125.8440	0.000	1	125.8440	0.000	1	125.8440	0.000	1	125.8440	0.000	1	125.8440	0.000	1
941	762	956	0:SP2_SP2_SP2	N	C[6,6]	N	3:3:	4:3:2:	2:3:1:	C[6,6]-3:N-3:	C[3x6]-4:C[6,6]-3:N-2:	N-2:C-3:H-1:	N(C[6,6]C[3x6]C[6,6])(NCH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NN)	N(NC[6,6])(CNO)(H)	N(C[6,6]C[3x6]C[6,6])(NCH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NN){2|C<4>,4|H<1>}	N(NC[6,6])(CNO)(H)	116.8400	0.000	1	116.8400	0.000	1	116.8400	0.000	1	116.8400	0.000	1	118.2853	1.594	3	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6,6]	N	3:3:	4:4:2:	2:3:1:	C[6,6]-3:N-3:	C[6,6]-4:C[6,6]-4:N-2:	N-2:C-3:H-1:	N(C[6,6]C[6,6]2)(NCH)	C[6,6](C[6,6]C[6]2H)2(NN)	N(NC[6,6])(COO)(H)	N(C[6,6]C[6,6]2)(NCH)	C[6,6](C[6,6]C[6]2H)2(NN){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	N(NC[6,6])(COO)(H)	119.1720	0.000	1	119.1720	0.000	1	119.1720	0.000	1	119.1720	0.000	1	118.2853	1.594	3	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6,6]	N	3:3:	4:4:2:	3:2:1:	C[6,6]-3:N-3:	C[3x6]-4:C[3x6]-4:N-2:	C-3:N-2:H-1:	N(C[6,6]C[3x6]2)(NCH)	C[6,6](C[3x6]C[6,6]2H)2(NN)	N(CC[6a]O)(NC[6,6])(H)	N(C[6,6]C[3x6]2)(NCH)	C[6,6](C[3x6]C[6,6]2H)2(NN){2|C<4>,8|H<1>}	N(CC[6a]O)(NC[6,6])(H)	118.8440	0.000	1	118.8440	0.000	1	118.8440	0.000	1	118.8440	0.000	1	118.2853	1.594	3	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	2:3:2:	3:2:1:	C[6]-3:N-3:	S[6]-2:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]S[6])(NC[6a]H)	C[6](S[6]C[5a,6])(C[6]N[6]C)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]S[6])(NC[6a]H)	C[6](S[6]C[5a,6])(C[6]N[6]C)(NN){1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(NC[6])(H)	119.5570	0.222	2	119.5570	0.049	2	119.5570	0.049	2	119.5570	0.049	2	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:2:2:	2:4:4:	C[6]-3:N-3:	C[6,6a]-3:N[6]-2:N-2:	N-2:C-4:C-4:	N(C[6]C[6,6a]N[6])(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN)	N(NC[6])(CH3)2	N(C[6]C[6,6a]N[6])(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(NC[6])(CH3)2	117.2470	0.000	1	117.2470	0.000	1	117.2470	0.000	1	117.2470	0.000	1	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:2:2:	3:2:1:	C[6]-3:N-3:	C[6,6a]-3:N[6]-2:N-2:	C-3:N-2:H-1:	N(C[6]C[6,6a]N[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN)	N(CC[6a]O)(NC[6])(H)	N(C[6]C[6,6a]N[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN){1|N<3>,2|C<3>,2|H<1>}	N(CC[6a]O)(NC[6])(H)	112.6310	0.000	1	112.6310	0.000	1	112.6310	0.000	1	113.7065	2.313	2	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:2:2:	3:2:1:	C[6]-3:N-3:	C[6,6a]-3:O[6]-2:N-2:	C-3:N-2:H-1:	N(C[6]C[6,6a]O[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN)	N(CC[6a]O)(NC[6])(H)	N(C[6]C[6,6a]O[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN){1|C<4>,2|C<3>,3|H<1>}	N(CC[6a]O)(NC[6])(H)	114.7820	0.000	1	114.7820	0.000	1	114.7820	0.000	1	113.7065	2.313	2	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	2:1:1:	C[6]-3:N-3:	C[5a,6]-3:N[6]-3:N-2:	N-2:O-1:O-1:	N(C[6]C[5a,6]N[6])(NOO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN)	N(NC[6])(O)2	N(C[6]C[5a,6]N[6])(NOO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN){1|H<1>,1|N<2>,2|C<3>}	N(NC[6])(O)2	118.4360	0.000	1	118.4810	0.004	2	118.4810	0.004	2	116.8214	8.979	16	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	2:1:1:	C[6]-3:N-3:	C[5a,6]-3:N[6]-3:N-2:	N-2:O-1:O-1:	N(C[6]C[5a,6]N[6])(NOO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN)	N(NC[6])(O)2	N(C[6]C[5a,6]N[6])(NOO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN){1|N<3>,2|C<3>}	N(NC[6])(O)2	118.5260	0.000	1	118.4810	0.004	2	118.4810	0.004	2	116.8214	8.979	16	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	2:1:1:	C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	N-2:O-1:O-1:	N(C[6]C[6]2)(NOO)	C[6](C[6]C[6]H)2(NN)	N(NC[6])(O)2	N(C[6]C[6]2)(NOO)	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	N(NC[6])(O)2	120.0540	0.000	1	120.0540	0.000	1	120.0540	0.000	1	116.8214	8.979	16	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	2:1:1:	C[6]-3:N-3:	C[6]-3:N[6]-3:N-2:	N-2:O-1:O-1:	N(C[6]C[6]N[6])(NOO)	C[6](C[6]C[6]H)(N[6]C[6]C)(NN)	N(NC[6])(O)2	N(C[6]C[6]N[6])(NOO)	C[6](C[6]C[6]H)(N[6]C[6]C)(NN){1|C<3>,2|H<1>}	N(NC[6])(O)2	117.7870	0.000	1	117.7870	0.000	1	118.5905	1.291	2	116.8214	8.979	16	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	2:1:1:	C[6]-3:N-3:	C[6]-3:N[6]-3:N-2:	N-2:O-1:O-1:	N(C[6]C[6]N[6])(NOO)	C[6](C[6]C[6]H)(N[6]C[6]H)(NN)	N(NC[6])(O)2	N(C[6]C[6]N[6])(NOO)	C[6](C[6]C[6]H)(N[6]C[6]H)(NN){1|C<3>,2|H<1>}	N(NC[6])(O)2	119.3940	0.000	1	119.3940	0.000	1	118.5905	1.291	2	116.8214	8.979	16	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	2:1:1:	C[6]-3:N-3:	N[6]-3:N[6]-3:N-2:	N-2:O-1:O-1:	N(C[6]N[6]2)(NOO)	C[6](N[6]C[6]C)(N[6]C[6]H)(NN)	N(NC[6])(O)2	N(C[6]N[6]2)(NOO)	C[6](N[6]C[6]C)(N[6]C[6]H)(NN){1|N<3>,4|H<1>}	N(NC[6])(O)2	118.9608	0.409	5	118.9608	0.167	5	115.9041	10.192	11	116.8214	8.979	16	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	2:1:1:	C[6]-3:N-3:	N[6]-3:N[6]-3:N-2:	N-2:O-1:O-1:	N(C[6]N[6]2)(NOO)	C[6](N[6]C[6]C)2(NN)	N(NC[6])(O)2	N(C[6]N[6]2)(NOO)	C[6](N[6]C[6]C)2(NN){1|N<3>,4|H<1>}	N(NC[6])(O)2	112.6470	2.294	2	113.3568	3.121	6	115.9041	10.192	11	116.8214	8.979	16	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	2:1:1:	C[6]-3:N-3:	N[6]-3:N[6]-3:N-2:	N-2:O-1:O-1:	N(C[6]N[6]2)(NOO)	C[6](N[6]C[6]C)2(NN)	N(NC[6])(O)2	N(C[6]N[6]2)(NOO)	C[6](N[6]C[6]C)2(NN){1|O<2>,4|H<1>}	N(NC[6])(O)2	113.7117	1.716	4	113.3568	3.121	6	115.9041	10.192	11	116.8214	8.979	16	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	2:3:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-3:N-2:	N-2:C-3:H-1:	N(C[6]C[6,6a]C[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(NN)	N(NC[6])(CSS)(H)	N(C[6]C[6,6a]C[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(NN){1|H<1>,4|C<3>}	N(NC[6])(CSS)(H)	119.6510	0.000	1	119.6510	0.000	1	116.5580	7.972	3	118.0205	5.905	6	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	2:3:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-3:N-2:	N-2:C-3:H-1:	N(C[6]C[6,6a]C[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN)	N(NC[6])(CNS)(H)	N(C[6]C[6,6a]C[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN){1|N<3>,2|C<3>,2|H<1>}	N(NC[6])(CNS)(H)	115.0115	1.262	2	115.0115	1.593	2	116.5580	7.972	3	118.0205	5.905	6	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	2:3:1:	C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	N-2:C-3:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NN)	N(NC[6])(CNO)(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NN){1|H<1>,2|C<3>}	N(NC[6])(CNO)(H)	119.6495	0.763	2	119.6495	0.582	2	119.4830	0.374	3	118.0205	5.905	6	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	2:3:1:	C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	N-2:C-3:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]N[6]O)2(NN)	N(NC[6])(CNS)(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]N[6]O)2(NN){1|C<3>,1|H<1>}	N(NC[6])(CNS)(H)	119.1500	0.000	1	119.1500	0.000	1	119.4830	0.374	3	118.0205	5.905	6	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6,6]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6,6]C[6])(NC[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6]C[6])(NC[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(NN){1|H<1>,2|C<3>,3|C<4>}	N(C[6a]C[6a]2)(NC[6])(H)	118.4900	0.000	1	118.4900	0.000	1	118.4900	0.000	1	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6,6a]2)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6a]2)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NN){1|C<4>,2|O<2>,4|C<3>}	N(C[6a]C[6a]2)(NC[6])(H)	117.0240	0.000	1	117.2345	0.089	2	117.2345	0.089	2	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6,6a]2)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6a]2)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NN){2|O<2>,5|C<3>}	N(C[6a]C[6a]2)(NC[6])(H)	117.4450	0.000	1	117.2345	0.089	2	117.2345	0.089	2	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6]C[6,6a]C[6])(NC[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN)	N(C[5a]N[5a]2)(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN){2|H<1>,3|C<3>}	N(C[5a]N[5a]2)(NC[6])(H)	118.9730	0.000	1	118.9730	0.000	1	118.9730	0.000	1	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(NN){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(NC[6])(H)	119.3960	0.000	1	119.3960	0.000	1	118.9973	1.070	53	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(NC[6])(H)	120.9677	0.481	4	120.3055	1.227	6	118.9973	1.070	53	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	119.2780	0.000	1	120.3055	1.227	6	118.9973	1.070	53	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(NC[6])(H)	118.6840	0.000	1	120.3055	1.227	6	118.9973	1.070	53	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN)	N(C[6a]C[6a,6a]C[6a])(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6])(H)	117.8290	0.185	2	117.8290	0.034	2	118.9973	1.070	53	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN){1|H<1>,1|S<4>,3|C<3>}	N(C[6a]C[6a]2)(NC[6])(H)	118.9687	0.259	3	118.6722	0.645	37	118.9973	1.070	53	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(NC[6])(H)	117.7550	0.000	1	118.6722	0.645	37	118.9973	1.070	53	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(NC[6])(H)	118.6731	0.829	33	118.6722	0.645	37	118.9973	1.070	53	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN)	N(C[6a]C[6a]N[6a])(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(NC[6])(H)	119.8709	0.801	7	119.8709	0.641	7	118.9973	1.070	53	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[5a]H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(NN)	N(C[5a]C[5a]N[5a])(NC[6])(H)	N(C[6]C[6]2)(NC[5a]H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(NN){2|C<3>}	N(C[5a]C[5a]N[5a])(NC[6])(H)	118.1110	0.000	1	118.1110	0.000	1	120.3285	9.835	2	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[5a]H)	C[6](C[6]N[6]O)2(NN)	N(C[5a]N[5a]S[5a])(NC[6])(H)	N(C[6]C[6]2)(NC[5a]H)	C[6](C[6]N[6]O)2(NN){1|C<3>,2|C<4>}	N(C[5a]N[5a]S[5a])(NC[6])(H)	122.5460	0.000	1	122.5460	0.000	1	120.3285	9.835	2	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NN){1|H<1>,2|C<4>}	N(C[6a]C[6a]2)(NC[6])(H)	118.4510	0.000	1	118.4510	0.000	1	119.7231	1.381	28	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6]C)(C[6]N[6]O)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6]C)(C[6]N[6]O)(NN){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(NC[6])(H)	120.0627	0.891	10	120.0627	0.794	10	119.7231	1.381	28	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	118.0713	0.974	3	118.0713	0.949	3	119.7231	1.381	28	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6]O)2(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6]O)2(NN){1|C<3>,2|N<2>}	N(C[6a]C[6a]2)(NC[6])(H)	119.5770	1.637	3	119.5062	0.998	9	119.7231	1.381	28	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6]O)2(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6]O)2(NN){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	119.4708	0.721	6	119.5062	0.998	9	119.7231	1.381	28	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]N[6]N)(C[6]N[6]O)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]N[6]N)(C[6]N[6]O)(NN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	121.9850	0.000	1	121.9850	0.000	1	119.7231	1.381	28	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]N[6]O)2(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]N[6]O)2(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	120.8835	0.484	2	120.3157	1.085	3	119.7231	1.381	28	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]N[6]O)2(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]N[6]O)2(NN){1|Zn<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	119.1800	0.000	1	120.3157	1.085	3	119.7231	1.381	28	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:1:	C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]O[6]O)2(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]O[6]O)2(NN){1|C<4>}	N(C[6a]C[6a]2)(NC[6])(H)	120.4680	0.000	1	120.4680	0.000	1	119.7231	1.381	28	119.2149	1.436	87	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	3:2:4:	C[6]-3:N-3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[5]-3:N-2:C-4:	N(C[6]C[6,6a]2)(NC[5]C)	C[6](C[6,6a]C[6,6a]C[6a])2(NN)	N(C[5]N[5]S[5])(NC[6])(CH3)	N(C[6]C[6,6a]2)(NC[5]C)	C[6](C[6,6a]C[6,6a]C[6a])2(NN){1|N<3>,2|H<1>,4|C<3>}	N(C[5]N[5]S[5])(NC[6])(CH3)	117.8020	0.000	1	117.8020	0.000	1	117.8020	0.000	1	117.8020	0.000	1	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	4:2:1:	C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	B-4:N-2:H-1:	N(C[6]C[6]2)(NBH)	C[6](C[6]O[6]O)2(NN)	N(BC[5]HH)(NC[6])(H)	N(C[6]C[6]2)(NBH)	C[6](C[6]O[6]O)2(NN){1|C<4>}	N(BC[5]HH)(NC[6])(H)	122.0180	0.000	1	122.0180	0.000	1	121.4590	0.245	3	121.4590	0.245	3	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:3:2:	4:2:1:	C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	B-4:N-2:H-1:	N(C[6]C[6]2)(NBH)	C[6](C[6]O[6]O)2(NN)	N(BC[5]HN)(NC[6])(H)	N(C[6]C[6]2)(NBH)	C[6](C[6]O[6]O)2(NN){1|C<4>}	N(BC[5]HN)(NC[6])(H)	121.1795	0.148	2	121.1795	0.022	2	121.4590	0.245	3	121.4590	0.245	3	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:4:2:	2:1:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-4:N-2:	N-2:H-1:H-1:	N(C[6]C[6,6a]C[6])(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN)	N(NC[6])(H)2	N(C[6]C[6,6a]C[6])(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N(NC[6])(H)2	117.7580	0.000	1	117.7580	0.000	1	117.7580	0.000	1	116.4680	3.328	2	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:4:2:	2:1:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-4:N-2:	N-2:O-1:O-1:	N(C[6]C[6,6a]C[6])(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	N(NC[6])(O)2	N(C[6]C[6,6a]C[6])(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,3|H<1>}	N(NC[6])(O)2	115.1780	0.000	1	115.1780	0.000	1	115.1780	0.000	1	116.4680	3.328	2	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:4:2:	2:3:1:	C[6]-3:N-3:	C[6,6]-3:C[6]-4:N-2:	N-2:C-3:H-1:	N(C[6]C[6,6]C[6])(NCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NN)	N(NC[6])(CNS)(H)	N(C[6]C[6,6]C[6])(NCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NN){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N(NC[6])(CNS)(H)	118.7960	0.000	1	118.7960	0.000	1	118.7960	0.000	1	118.4079	0.336	7	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:4:2:	2:3:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-4:N-2:	N-2:C-3:H-1:	N(C[6]C[6,6a]C[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NN)	N(NC[6])(CNS)(H)	N(C[6]C[6,6a]C[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NN){1|C<4>,2|C<3>,3|H<1>}	N(NC[6])(CNS)(H)	118.1480	0.000	1	118.1480	0.000	1	118.3432	0.368	6	118.4079	0.336	7	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:4:2:	2:3:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-4:N-2:	N-2:C-3:H-1:	N(C[6]C[6,6a]C[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	N(NC[6])(CNS)(H)	N(C[6]C[6,6a]C[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,3|H<1>}	N(NC[6])(CNS)(H)	118.3775	0.773	4	118.3822	0.449	5	118.3432	0.368	6	118.4079	0.336	7	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:4:2:	2:3:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-4:N-2:	N-2:C-3:H-1:	N(C[6]C[6,6a]C[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	N(NC[6])(CNS)(H)	N(C[6]C[6,6a]C[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|O<2>,2|H<1>,3|C<3>}	N(NC[6])(CNS)(H)	118.4010	0.000	1	118.3822	0.449	5	118.3432	0.368	6	118.4079	0.336	7	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:4:2:	3:2:1:	C[6]-3:N-3:	C[5a,6]-3:C[6]-4:N-2:	C-3:N-2:H-1:	N(C[6]C[5a,6]C[6])(NCH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NN)	N(CC[6a]O)(NC[6])(H)	N(C[6]C[5a,6]C[6])(NCH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,3|H<1>}	N(CC[6a]O)(NC[6])(H)	117.9140	0.000	1	117.9140	0.000	1	117.9140	0.000	1	117.5890	3.023	6	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:4:2:	3:2:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-4:N-2:	C-3:N-2:H-1:	N(C[6]C[6,6a]C[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	N(CC[6a]O)(NC[6])(H)	N(C[6]C[6,6a]C[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|O<2>,2|H<1>,3|C<3>}	N(CC[6a]O)(NC[6])(H)	116.3020	0.000	2	116.3020	0.000	2	116.3020	0.000	2	117.5890	3.023	6	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:4:2:	3:2:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-4:N-2:	C[5a]-3:N-2:H-1:	N(C[6]C[6,6a]C[6])(NC[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	N(C[5a]N[5a]S[5a])(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|N<3>,2|C<3>,3|H<1>}	N(C[5a]N[5a]S[5a])(NC[6])(H)	119.5220	1.269	2	119.5220	1.609	2	119.5220	1.609	2	117.5890	3.023	6	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	3:4:2:	3:2:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	115.9720	0.000	1	115.9720	0.000	1	115.9720	0.000	1	117.5890	3.023	6	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:3:2:	2:3:1:	C[6]-3:N-3:	C[6]-4:C[6]-3:N-2:	N-2:C-3:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NN)	N(NC[6])(CCO)(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NN){1|H<1>,3|C<4>}	N(NC[6])(CCO)(H)	117.8775	0.593	2	117.8775	0.352	2	117.7534	3.637	7	117.7534	3.637	7	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:3:2:	2:3:1:	C[6]-3:N-3:	C[6]-4:C[6]-3:N-2:	N-2:C-3:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(NN)	N(NC[6])(CSS)(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(NN){2|C<4>,2|H<1>}	N(NC[6])(CSS)(H)	114.7380	0.000	1	114.7380	0.000	1	117.7534	3.637	7	117.7534	3.637	7	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:3:2:	2:3:1:	C[6]-3:N-3:	C[6]-4:C[6]-3:N-2:	N-2:C-3:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN)	N(NC[6])(CNO)(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN){1|C<4>,4|H<1>}	N(NC[6])(CNO)(H)	119.6230	0.000	1	119.6230	0.000	1	117.7534	3.637	7	117.7534	3.637	7	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:3:2:	2:3:1:	C[6]-3:N-3:	C[6]-4:C[6]-3:N-2:	N-2:C-3:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN)	N(NC[6])(CNS)(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN){2|C<4>,2|H<1>}	N(NC[6])(CNS)(H)	117.0260	0.000	1	117.0260	0.000	1	117.7534	3.637	7	117.7534	3.637	7	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:3:2:	2:3:1:	C[6]-3:N-3:	C[6]-4:C[6]-3:N-2:	N-2:C-3:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NN)	N(NC[6])(CNS)(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NN){1|C<4>,4|H<1>}	N(NC[6])(CNS)(H)	118.5660	2.646	2	118.5660	7.001	2	117.7534	3.637	7	117.7534	3.637	7	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:3:2:	3:2:1:	C[6]-3:N-3:	C[4,6]-4:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[4,6]C[6])(NC[6a]H)	C[6](C[4,6]C[4]2O[6])(C[6]C[6]H)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[4,6]C[6])(NC[6a]H)	C[6](C[4,6]C[4]2O[6])(C[6]C[6]H)(NN){2|C<4>,5|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	117.0635	0.317	2	117.0635	0.101	2	117.0635	0.101	2	117.5234	2.018	9	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:3:2:	3:2:1:	C[6]-3:N-3:	C[6]-4:C[6]-3:N-2:	C-3:N-2:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]CC)(C[6]C[6]H)(NN)	N(CC[6a]O)(NC[6])(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]CC)(C[6]C[6]H)(NN){2|C<4>,2|H<1>}	N(CC[6a]O)(NC[6])(H)	118.7470	0.305	2	118.7470	0.093	2	117.7390	1.443	4	117.5234	2.018	9	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:3:2:	3:2:1:	C[6]-3:N-3:	C[6]-4:C[6]-3:N-2:	C-3:N-2:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NN)	N(CC[6a]O)(NC[6])(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NN){1|C<3>,1|C<4>,2|H<1>}	N(CC[6a]O)(NC[6])(H)	116.7310	0.413	2	116.7310	0.171	2	117.7390	1.443	4	117.5234	2.018	9	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:3:2:	3:2:1:	C[6]-3:N-3:	C[6]-4:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NN){1|C<3>,1|H<1>,2|C<4>}	N(C[6a]C[6a]2)(NC[6])(H)	120.2610	0.000	1	120.2610	0.000	1	117.5427	5.554	3	117.5234	2.018	9	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:3:2:	3:2:1:	C[6]-3:N-3:	C[6]-4:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN){1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(NC[6])(H)	116.0750	0.000	1	116.0750	0.000	1	117.5427	5.554	3	117.5234	2.018	9	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:3:2:	3:2:1:	C[6]-3:N-3:	C[6]-4:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NN){2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	116.2920	0.000	1	116.2920	0.000	1	117.5427	5.554	3	117.5234	2.018	9	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	2:1:1:	C[6]-3:N-3:	C[6,6]-4:C[6]-4:N-2:	N-2:O-1:O-1:	N(C[6]C[6,6]C[6])(NOO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NN)	N(NC[6])(O)2	N(C[6]C[6,6]C[6])(NOO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NN){3|H<1>,5|C<4>}	N(NC[6])(O)2	112.8730	0.000	1	112.8730	0.000	1	112.8730	0.000	1	112.8730	0.000	1	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	2:3:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	N-2:C-3:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	N(NC[6])(CNS)(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){1|C<4>,4|H<1>}	N(NC[6])(CNS)(H)	119.7010	0.000	1	118.8040	1.478	5	118.6570	1.092	10	118.6570	1.092	10	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	2:3:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	N-2:C-3:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	N(NC[6])(CNS)(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){1|N<3>,2|C<3>,2|H<1>}	N(NC[6])(CNS)(H)	119.1360	0.000	1	118.8040	1.478	5	118.6570	1.092	10	118.6570	1.092	10	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	2:3:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	N-2:C-3:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	N(NC[6])(CNS)(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){2|C<4>,3|H<1>}	N(NC[6])(CNS)(H)	118.3943	1.499	3	118.8040	1.478	5	118.6570	1.092	10	118.6570	1.092	10	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	2:3:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	N-2:C-3:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)2(NN)	N(NC[6])(CCO)(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)2(NN){1|C<4>,4|H<1>}	N(NC[6])(CCO)(H)	117.7160	0.083	2	117.7160	0.007	2	118.6570	1.092	10	118.6570	1.092	10	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	2:3:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	N-2:C-3:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)2(NN)	N(NC[6])(CNS)(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)2(NN){1|C<4>,4|H<1>}	N(NC[6])(CNS)(H)	119.8000	0.000	1	119.8000	0.000	1	118.6570	1.092	10	118.6570	1.092	10	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	2:3:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	N-2:C-3:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)2(NN)	N(NC[6])(CSS)(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)2(NN){1|C<4>,4|H<1>}	N(NC[6])(CSS)(H)	118.0590	0.000	1	118.0590	0.000	1	118.6570	1.092	10	118.6570	1.092	10	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	2:3:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	N-2:C-3:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)	N(NC[6])(COO)(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN){1|C<4>,2|H<1>,2|O<2>}	N(NC[6])(COO)(H)	119.2590	0.000	1	119.2590	0.000	1	118.6570	1.092	10	118.6570	1.092	10	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	3:2:1:	C[6]-3:N-3:	C[3,6]-4:C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[3,6]C[6])(NC[6a]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[3,6]C[6])(NC[6a]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NN){1|C<2>,1|C<4>,3|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	115.6350	0.000	1	115.6350	0.000	1	115.6350	0.000	1	116.6973	1.951	20	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	3:2:1:	C[6]-3:N-3:	C[5,6]-4:C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[5,6]C[6])(NC[6a]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[5,6]C[6])(NC[6a]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(NN){3|H<1>,5|C<4>}	N(C[6a]C[6a]2)(NC[6])(H)	116.6730	0.000	1	116.6730	0.000	1	116.6730	0.000	1	116.6973	1.951	20	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	3:2:1:	C[6]-3:N-3:	C[6,6]-4:C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6,6]C[6])(NC[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6]C[6])(NC[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NN){1|C<3>,3|C<4>,3|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	117.6520	0.000	1	117.6520	0.000	1	115.9263	2.565	3	116.6973	1.951	20	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	3:2:1:	C[6]-3:N-3:	C[6,6]-4:C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6,6]C[6])(NC[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6]C[6])(NC[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NN){1|C<3>,2|C<4>,5|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	114.4880	0.000	1	115.0635	0.662	2	115.9263	2.565	3	116.6973	1.951	20	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	3:2:1:	C[6]-3:N-3:	C[6,6]-4:C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6,6]C[6])(NC[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6]C[6])(NC[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NN){3|C<4>,5|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	115.6390	0.000	1	115.0635	0.662	2	115.9263	2.565	3	116.6973	1.951	20	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	3:2:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	C-3:N-2:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NN)	N(CC[6a]O)(NC[6])(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NN){1|N<3>,2|C<3>,2|H<1>}	N(CC[6a]O)(NC[6])(H)	118.9040	0.000	1	118.9040	0.000	1	117.7824	1.039	8	116.6973	1.951	20	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	3:2:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	C-3:N-2:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)2(NN)	N(CC[5a]O)(NC[6])(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)2(NN){1|C<4>,4|H<1>}	N(CC[5a]O)(NC[6])(H)	116.8807	0.859	3	116.8807	0.739	3	117.7824	1.039	8	116.6973	1.951	20	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	3:2:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	C-3:N-2:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)2(NN)	N(CC[6a]O)(NC[6])(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)2(NN){1|C<4>,4|H<1>}	N(CC[6a]O)(NC[6])(H)	118.1782	0.701	4	118.1782	0.491	4	117.7824	1.039	8	116.6973	1.951	20	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	3:2:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NN){1|C<3>,1|C<4>,3|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	115.3620	0.000	1	116.3960	2.138	2	115.9427	1.393	7	116.6973	1.951	20	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	3:2:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NN){2|C<4>,3|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	117.4300	0.000	1	116.3960	2.138	2	115.9427	1.393	7	116.6973	1.951	20	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	3:2:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(NN){1|H<1>,2|C<4>}	N(C[6a]C[6a]2)(NC[6])(H)	115.0840	0.000	1	115.0840	0.000	1	115.9427	1.393	7	116.6973	1.951	20	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	3:2:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NN){1|C<4>,1|O<2>,3|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	114.6200	0.000	1	114.6200	0.000	1	115.9427	1.393	7	116.6973	1.951	20	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	3:2:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6]HH)2(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6]HH)2(NN){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	116.1450	1.575	2	116.1450	2.482	2	115.9427	1.393	7	116.6973	1.951	20	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	3:2:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,4|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	116.8130	0.000	1	116.8130	0.000	1	115.9427	1.393	7	116.6973	1.951	20	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	4:2:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	S-4:N-2:H-1:	N(C[6]C[6]2)(NHS)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NN)	N(SC[6a]OO)(NC[6])(H)	N(C[6]C[6]2)(NHS)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NN){1|C<4>,2|H<1>,2|O<2>}	N(SC[6a]OO)(NC[6])(H)	117.9420	0.000	1	117.9420	0.000	1	116.7867	1.705	4	116.7867	1.705	4	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	4:2:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	S-4:N-2:H-1:	N(C[6]C[6]2)(NHS)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	N(SC[6a]OO)(NC[6])(H)	N(C[6]C[6]2)(NHS)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){2|H<1>,3|C<4>}	N(SC[6a]OO)(NC[6])(H)	116.7490	0.000	1	116.7490	0.000	1	116.7867	1.705	4	116.7867	1.705	4	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	4:2:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	S-4:N-2:H-1:	N(C[6]C[6]2)(NHS)	C[6](C[6]C[6]HH)2(NN)	N(SC[6a]OO)(NC[6])(H)	N(C[6]C[6]2)(NHS)	C[6](C[6]C[6]HH)2(NN){1|C<4>,4|H<1>}	N(SC[6a]OO)(NC[6])(H)	117.4840	0.000	1	116.2280	3.155	2	116.7867	1.705	4	116.7867	1.705	4	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP2	N	C[6]	N	3:3:	4:4:2:	4:2:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	S-4:N-2:H-1:	N(C[6]C[6]2)(NHS)	C[6](C[6]C[6]HH)2(NN)	N(SC[6a]OO)(NC[6])(H)	N(C[6]C[6]2)(NHS)	C[6](C[6]C[6]HH)2(NN){2|C<3>,3|C<4>}	N(SC[6a]OO)(NC[6])(H)	114.9720	0.000	1	116.2280	3.155	2	116.7867	1.705	4	116.7867	1.705	4	118.2867	3.795	184	118.2867	3.751	187
941	762	956	0:SP2_SP2_SP3	N	C[6,6]	N	3:3:	4:4:2:	2:1:1:	C[6,6]-3:N-3:	C[3x6]-4:C[6,6]-4:N-2:	N-2:H-1:H-1:	N(C[6,6]C[3x6]C[6,6])(NHH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NN)	N(NC[6,6])(H)2	N(C[6,6]C[3x6]C[6,6])(NHH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NN){2|C<4>,4|H<1>}	N(NC[6,6])(H)2	115.4940	0.000	1	115.4940	0.000	1	115.4940	0.000	1	115.4940	0.000	1	115.4940	0.000	1	117.6423	3.158	11
941	762	956	0:SP2_SP2_SP3	N	C[6]	N	3:3:	3:2:2:	3:2:4:	C[6]-3:N-3:	C[6,6a]-3:N[6]-2:N-2:	C[6a]-3:N-2:C-4:	N(C[6]C[6,6a]N[6])(NC[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN)	N(C[6a]C[6a]2)(NC[6])(CH3)	N(C[6]C[6,6a]N[6])(NC[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(NC[6])(CH3)	113.3710	0.000	1	113.3710	0.000	1	113.3710	0.000	1	113.3710	0.000	1	117.8571	2.945	10	117.6423	3.158	11
941	762	956	0:SP2_SP2_SP3	N	C[6]	N	3:3:	3:3:2:	3:2:4:	C[6]-3:N-3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[6]C[6,6a]2)(NC[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(NN)	N(C[6a]N[6a]S[6a])(NC[6])(CH3)	N(C[6]C[6,6a]2)(NC[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(NN){1|N<3>,2|H<1>,4|C<3>}	N(C[6a]N[6a]S[6a])(NC[6])(CH3)	118.1010	0.000	1	118.1010	0.000	1	118.1010	0.000	1	118.1010	0.000	1	117.8571	2.945	10	117.6423	3.158	11
941	762	956	0:SP2_SP2_SP3	N	C[6]	N	3:3:	3:4:2:	2:1:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-4:N-2:	N-2:H-1:H-1:	N(C[6]C[6,6a]C[6])(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN)	N(NC[6])(H)2	N(C[6]C[6,6a]C[6])(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N(NC[6])(H)2	119.2610	0.000	1	119.2610	0.000	1	119.2610	0.000	1	119.2610	0.000	1	117.8571	2.945	10	117.6423	3.158	11
941	762	956	0:SP2_SP2_SP3	N	C[6]	N	3:3:	3:4:2:	2:3:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-4:N-2:	N-2:C-3:H-1:	N(C[6]C[6,6a]C[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	N(NC[6])(CNS)(H)	N(C[6]C[6,6a]C[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,3|H<1>}	N(NC[6])(CNS)(H)	118.3820	0.000	1	118.3820	0.000	1	118.3820	0.000	1	118.3820	0.000	1	117.8571	2.945	10	117.6423	3.158	11
941	762	956	0:SP2_SP2_SP3	N	C[6]	N	3:3:	3:4:2:	3:2:1:	C[6]-3:N-3:	C[6,6a]-3:C[6]-4:N-2:	C[5]-3:N-2:H-1:	N(C[6]C[6,6a]C[6])(NC[5]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	N(C[5]N[5]S[5])(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[5]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,3|H<1>}	N(C[5]N[5]S[5])(NC[6])(H)	118.0860	0.000	1	118.0860	0.000	1	118.0860	0.000	1	118.0860	0.000	1	117.8571	2.945	10	117.6423	3.158	11
941	762	956	0:SP2_SP2_SP3	N	C[6]	N	3:3:	4:4:2:	2:3:1:	C[6]-3:N-3:	C[6]-4:C[6]-4:N-2:	N-2:C-3:H-1:	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)2(NN)	N(NC[6])(CNS)(H)	N(C[6]C[6]2)(NCH)	C[6](C[6]C[6]HH)2(NN){1|C<4>,4|H<1>}	N(NC[6])(CNS)(H)	118.8393	0.413	3	118.8393	0.170	3	118.8393	0.170	3	118.8393	0.170	3	117.8571	2.945	10	117.6423	3.158	11
941	762	956	0:SP2_SP2_SP3	N	C[6]	N	3:3:	4:4:2:	4:2:1:	C[6]-3:N-3:	C[3,6]-4:C[6]-4:N-2:	S-4:N-2:H-1:	N(C[6]C[3,6]C[6])(NHS)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NN)	N(SC[6a]OO)(NC[6])(H)	N(C[6]C[3,6]C[6])(NHS)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NN){1|C<3>,1|C<4>,4|H<1>}	N(SC[6a]OO)(NC[6])(H)	116.9700	0.000	1	116.9700	0.000	1	116.9700	0.000	1	117.4260	0.416	2	117.8571	2.945	10	117.6423	3.158	11
941	762	956	0:SP2_SP2_SP3	N	C[6]	N	3:3:	4:4:2:	4:2:1:	C[6]-3:N-3:	C[6,6]-4:C[6,6]-4:N-2:	S-4:N-2:H-1:	N(C[6]C[6,6]2)(NHS)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]O[6,6]C[6]H)(NN)	N(SC[6a]OO)(NC[6])(H)	N(C[6]C[6,6]2)(NHS)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]O[6,6]C[6]H)(NN){4|C<4>,5|H<1>}	N(SC[6a]OO)(NC[6])(H)	117.8820	0.000	1	117.8820	0.000	1	117.8820	0.000	1	117.4260	0.416	2	117.8571	2.945	10	117.6423	3.158	11
941	762	983	0:SP2_SP1_SP2	N	C[6]	C	3:2:	2:2:2:	2:1:	C[6]-3:C-2:	N[6]-2:N[6]-2:N-2:	N-2:N-1:	N(C[6]N[6]2)(CN)	C[6](N[6]C[6])2(NC)	C(NC[6])(N)	N(C[6]N[6]2)(CN)	C[6](N[6]C[6])2(NC){1|N<3>,2|N<2>}	C(NC[6])(N)	118.7350	0.000	1	118.7350	0.000	1	118.7350	0.000	1	118.7350	0.000	1	130.4517	521.574	11	130.4517	521.574	11
941	762	983	0:SP2_SP1_SP2	N	C[6]	C	3:2:	3:2:2:	2:1:	C[6]-3:C-2:	N[6]-3:N[6]-2:N-2:	N-2:N-1:	N(C[6]N[6]2)(CN)	C[6](N[6]C[6]H)(N[6]C[6])(NC)	C(NC[6])(N)	N(C[6]N[6]2)(CN)	C[6](N[6]C[6]H)(N[6]C[6])(NC){1|C<3>,2|C<4>}	C(NC[6])(N)	116.9440	0.000	1	116.4617	2.050	4	116.4617	2.050	4	117.0330	3.169	5	130.4517	521.574	11	130.4517	521.574	11
941	762	983	0:SP2_SP1_SP2	N	C[6]	C	3:2:	3:2:2:	2:1:	C[6]-3:C-2:	N[6]-3:N[6]-2:N-2:	N-2:N-1:	N(C[6]N[6]2)(CN)	C[6](N[6]C[6]H)(N[6]C[6])(NC)	C(NC[6])(N)	N(C[6]N[6]2)(CN)	C[6](N[6]C[6]H)(N[6]C[6])(NC){1|N<3>,2|N<2>}	C(NC[6])(N)	117.9830	0.000	1	116.4617	2.050	4	116.4617	2.050	4	117.0330	3.169	5	130.4517	521.574	11	130.4517	521.574	11
941	762	983	0:SP2_SP1_SP2	N	C[6]	C	3:2:	3:2:2:	2:1:	C[6]-3:C-2:	N[6]-3:N[6]-2:N-2:	N-2:N-1:	N(C[6]N[6]2)(CN)	C[6](N[6]C[6]H)(N[6]C[6])(NC)	C(NC[6])(N)	N(C[6]N[6]2)(CN)	C[6](N[6]C[6]H)(N[6]C[6])(NC){3|N<2>}	C(NC[6])(N)	115.4600	1.263	2	116.4617	2.050	4	116.4617	2.050	4	117.0330	3.169	5	130.4517	521.574	11	130.4517	521.574	11
941	762	983	0:SP2_SP1_SP2	N	C[6]	C	3:2:	3:2:2:	2:1:	C[6]-3:C-2:	N[6]-3:S[6]-2:N-2:	N-2:N-1:	N(C[6]N[6]S[6])(CN)	C[6](N[6]C[6]H)(S[6]C[6])(NC)	C(NC[6])(N)	N(C[6]N[6]S[6])(CN)	C[6](N[6]C[6]H)(S[6]C[6])(NC){1|C<4>,4|H<1>}	C(NC[6])(N)	119.3180	0.000	1	119.3180	0.000	1	119.3180	0.000	1	117.0330	3.169	5	130.4517	521.574	11	130.4517	521.574	11
941	762	983	0:SP2_SP1_SP2	N	C[6]	C	3:2:	3:2:2:	2:2:	C[6]-3:C-2:	N[6]-3:N[6]-2:N-2:	N-2:N-2:	N(C[6]N[6]2)(CN)	C[6](N[6]C[6]H)(N[6]C[6])(NC)	C(NC[6])(NCo)	N(C[6]N[6]2)(CN)	C[6](N[6]C[6]H)(N[6]C[6])(NC){1|N<3>,2|N<2>}	C(NC[6])(NCo)	117.2330	0.000	1	117.2330	0.000	1	117.2330	0.000	1	117.2330	0.000	1	130.4517	521.574	11	130.4517	521.574	11
941	762	983	0:SP2_SP1_SP2	N	C[6]	C	3:2:	3:3:2:	2:1:	C[6]-3:C-2:	C[6]-3:C[6]-3:N-2:	N-2:S-1:	N(C[6]C[6]2)(CS)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC)	C(NC[6])(S)	N(C[6]C[6]2)(CS)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC){1|Re<6>,1|C<3>,1|H<1>}	C(NC[6])(S)	149.6720	0.000	1	149.6720	0.000	1	149.6720	0.000	1	134.9530	433.298	2	130.4517	521.574	11	130.4517	521.574	11
941	762	983	0:SP2_SP1_SP2	N	C[6]	C	3:2:	3:3:2:	2:1:	C[6]-3:C-2:	N[6]-3:N[6]-3:N-2:	N-2:N-1:	N(C[6]N[6]2)(CN)	C[6](N[6]C[6]H)2(NC)	C(NC[6])(N)	N(C[6]N[6]2)(CN)	C[6](N[6]C[6]H)2(NC){3|N<2>}	C(NC[6])(N)	120.2340	0.000	1	120.2340	0.000	1	120.2340	0.000	1	134.9530	433.298	2	130.4517	521.574	11	130.4517	521.574	11
941	762	983	0:SP2_SP1_SP2	N	C[6]	C	3:2:	3:4:2:	2:1:	C[6]-3:C-2:	C[5,6]-3:C[6]-4:N-2:	N-2:S-1:	N(C[6]C[5,6]C[6])(CS)	C[6](C[5,6]C[5,5a]C[5,6])(C[6]C[6]CC)(NC)	C(NC[6])(S)	N(C[6]C[5,6]C[6])(CS)	C[6](C[5,6]C[5,5a]C[5,6])(C[6]C[6]CC)(NC){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C(NC[6])(S)	166.0400	0.000	1	166.0400	0.000	1	166.0400	0.000	1	166.0400	0.000	1	130.4517	521.574	11	130.4517	521.574	11
941	762	983	0:SP2_SP1_SP2	N	C[6]	C	3:2:	4:4:2:	3:2:	C[6]-3:C-2:	C[6]-4:C[6]-4:N-2:	Ge[5]-3:N-2:	N(C[6]C[6]2)(CGe[5])	C[6](C[6]C[6]HH)2(NC)	C(Ge[5]Ge[3,3,5]N[5])(NC[6])	N(C[6]C[6]2)(CGe[5])	C[6](C[6]C[6]HH)2(NC){1|C<4>,4|H<1>}	C(Ge[5]Ge[3,3,5]N[5])(NC[6])	177.8900	0.000	1	177.8900	0.000	1	177.8900	0.000	1	177.8900	0.000	1	130.4517	521.574	11	130.4517	521.574	11
941	762	992	0:SP2_SP2_SP3	N	C[6]	P	3:4:	2:2:2:	2:1:1:1:	C[6]-3:P-4:	N[6]-2:N[6]-2:N-2:	N-2:Cl-1:Cl-1:Cl-1:	N(C[6]N[6]2)(PCl3)	C[6](N[6]C[6,6a])(N[6]C[6,6])(NP)	P(NC[6])(Cl)3	N(C[6]N[6]2)(PCl3)	C[6](N[6]C[6,6a])(N[6]C[6,6])(NP){1|N<2>,2|N<3>}	P(NC[6])(Cl)3	124.0340	0.000	1	124.0340	0.000	1	124.0340	0.000	1	124.0340	0.000	1	127.7183	15.921	6	127.7183	15.921	6
941	762	992	0:SP2_SP2_SP3	N	C[6]	P	3:4:	3:2:2:	2:1:1:1:	C[6]-3:P-4:	N[6]-3:N[6]-2:N-2:	N-2:Cl-1:Cl-1:Cl-1:	N(C[6]N[6]2)(PCl3)	C[6](N[6]C[6,6]H)(N[6]C[6,6a])(NP)	P(NC[6])(Cl)3	N(C[6]N[6]2)(PCl3)	C[6](N[6]C[6,6]H)(N[6]C[6,6a])(NP){1|N<3>,2|N<2>}	P(NC[6])(Cl)3	123.2980	0.000	1	123.2980	0.000	1	123.2980	0.000	1	123.2980	0.000	1	127.7183	15.921	6	127.7183	15.921	6
941	762	992	0:SP2_SP2_SP3	N	C[6]	P	3:4:	3:3:2:	2:2:2:1:	C[6]-3:P-4:	N[6]-3:C[6]-3:N-2:	N-2:N-2:O-2:O-1:	N(C[6]C[6]N[6])(PNOO)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NP)	P(NC[6])2(OZn)(O)	N(C[6]C[6]N[6])(PNOO)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NP){1|C<3>,2|H<1>}	P(NC[6])2(OZn)(O)	130.4425	5.303	2	130.4425	28.118	2	130.4425	28.118	2	130.4425	28.118	2	127.7183	15.921	6	127.7183	15.921	6
941	762	992	0:SP2_SP2_SP3	N	C[6]	P	3:4:	3:3:2:	2:4:4:2:	C[6]-3:P-4:	N[6]-3:C[6]-3:N-2:	N-2:C-4:C-4:S-2:	N(C[6]C[6]N[6])(PCCS)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NP)	P(NC[6])(CCCH)2(SFe)	N(C[6]C[6]N[6])(PCCS)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NP){1|C<3>,2|H<1>}	P(NC[6])(CCCH)2(SFe)	129.0750	0.000	1	129.0750	0.000	1	129.0750	0.000	1	129.0750	0.000	1	127.7183	15.921	6	127.7183	15.921	6
941	762	992	0:SP2_SP2_SP3	N	C[6]	P	3:4:	3:3:2:	3:3:3:2:	C[6]-3:P-4:	C[6]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:P-3:N-2:	N(C[6]C[6]N[6])(PC[6a]2P)	C[6](C[6]C[6]H)(N[6]C[6]H)(NP)	P(C[6a]C[6a]2)2(PC[6a]2)(NC[6])	N(C[6]C[6]N[6])(PC[6a]2P)	C[6](C[6]C[6]H)(N[6]C[6]H)(NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2)(NC[6])	129.0180	0.000	1	129.0180	0.000	1	129.0180	0.000	1	129.0180	0.000	1	127.7183	15.921	6	127.7183	15.921	6
941	769	983	0:SP2_SP1_SP2	N	C[4a]	C	3:2:	3:3:2:	2:1:	C[4a]-3:C-2:	C[4a]-3:C[4a]-3:N-2:	N-2:N-1:	N(C[4a]C[4a]2)(CN)	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC)	C(NC[4a])(N)	N(C[4a]C[4a]2)(CN)	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC){1|O<1>}	C(NC[4a])(N)	117.7860	0.680	2	117.7860	0.463	2	117.7860	0.463	2	117.7860	0.463	2	118.0293	0.409	3	118.0293	0.409	3
941	769	983	0:SP2_SP1_SP2	N	C[4a]	C	3:2:	3:3:2:	2:2:	C[4a]-3:C-2:	C[4a]-3:C[4a]-3:N-2:	N-2:N-2:	N(C[4a]C[4a]2)(CN)	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC)	C(NC[4a])(NNi)	N(C[4a]C[4a]2)(CN)	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC){1|O<1>}	C(NC[4a])(NNi)	118.5160	0.000	1	118.5160	0.000	1	118.5160	0.000	1	118.5160	0.000	1	118.0293	0.409	3	118.0293	0.409	3
941	770	880	0:SP2_SP2_SP3	N	B	Si	3:4:	3:3:2:	4:4:4:2:	B-3:Si-4:	C[6a]-3:C[5]-3:N-2:	C-4:C-4:C-4:N-2:	N(BC[6a]C[5])(SiC3)	B(C[6a]C[6a]2)(C[5]N[5]2)(NSi)	Si(CH3)3(NB)	N(BC[6a]C[5])(SiC3)	B(C[6a]C[6a]2)(C[5]N[5]2)(NSi)	Si(CH3)3(NB)	140.0410	0.000	1	140.0410	0.000	1	140.0410	0.000	1	140.0410	0.000	1	140.5915	0.606	2	140.5915	0.606	2
941	770	880	0:SP2_SP2_SP3	N	B	Si	3:4:	5:3:2:	4:4:4:2:	B-3:Si-4:	C[3x3,4,3x5,14x6]-5:C[5]-3:N-2:	C-4:C-4:C-4:N-2:	N(BC[3x3,4,3x5,14x6]C[5])(SiC3)	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]N[5]2)(NSi)	Si(CH3)3(NB)	N(BC[3x3,4,3x5,14x6]C[5])(SiC3)	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]N[5]2)(NSi)	Si(CH3)3(NB)	141.1420	0.000	1	141.1420	0.000	1	141.1420	0.000	1	141.1420	0.000	1	140.5915	0.606	2	140.5915	0.606	2
941	770	992	0:SP2_SP2_SP3	N	B	P	3:4:	3:3:2:	4:4:4:2:	B-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C-4:C-4:C-4:N-2:	N(BC[6a]2)(PC3)	B(C[6a]C[6a]2)2(NP)	P(CC3)3(NB)	N(BC[6a]2)(PC3)	B(C[6a]C[6a]2)2(NP)	P(CC3)3(NB)	170.8010	0.000	1	170.8010	0.000	1	151.1290	290.884	3	151.1290	290.884	3	145.0064	162.282	9	145.0064	162.282	9
941	770	992	0:SP2_SP2_SP3	N	B	P	3:4:	3:3:2:	4:4:4:2:	B-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C-4:C-4:C-4:N-2:	N(BC[6a]2)(PC3)	B(C[6a]C[6a]2)2(NP)	P(CCHH)3(NB)	N(BC[6a]2)(PC3)	B(C[6a]C[6a]2)2(NP)	P(CCHH)3(NB)	141.2930	1.134	2	141.2930	1.286	2	151.1290	290.884	3	151.1290	290.884	3	145.0064	162.282	9	145.0064	162.282	9
941	770	992	0:SP2_SP2_SP3	N	B	P	3:4:	4:4:2:	4:4:4:2:	B-3:P-4:	C[6]-4:C[6]-4:N-2:	C-4:C-4:C-4:N-2:	N(BC[6]2)(PC3)	B(C[6]C[6]2H)2(NP)	P(CC3)3(NB)	N(BC[6]2)(PC3)	B(C[6]C[6]2H)2(NP)	P(CC3)3(NB)	162.8090	0.000	1	162.8090	0.000	1	162.8090	0.000	1	162.8090	0.000	1	145.0064	162.282	9	145.0064	162.282	9
941	770	992	0:SP2_SP2_SP3	N	B	P	4:3:	3:3:2:	3:3:2:2:	P-4:B-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:N-2:	N(PC[6a]2C)(BC[6a]2)	B(C[6a]C[6a]2)2(NP)	P(C[6a]C[6a]2)2(CC)(NB)	N(PC[6a]2C)(BC[6a]2)	B(C[6a]C[6a]2)2(NP)	P(C[6a]C[6a]2)2(CC)(NB)	135.5975	0.210	2	135.5975	0.044	2	135.5975	0.044	2	135.5975	0.044	2	145.0064	162.282	9	145.0064	162.282	9
941	770	992	0:SP2_SP2_SP3	N	B	P	4:3:	3:3:2:	3:3:3:2:	P-4:B-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(BC[6a]2)	B(C[6a]C[6a]2)2(NP)	P(C[6a]C[6a]2)3(NB)	N(PC[6a]3)(BC[6a]2)	B(C[6a]C[6a]2)2(NP)	P(C[6a]C[6a]2)3(NB)	138.0395	1.111	2	138.0395	1.234	2	138.0395	1.234	2	138.0395	1.234	2	145.0064	162.282	9	145.0064	162.282	9
941	770	992	0:SP2_SP2_SP3	N	B	P	4:3:	4:4:2:	3:3:3:2:	P-4:B-3:	C[6]-4:C[6]-4:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(BC[6]2)	B(C[6]C[6]2H)2(NP)	P(C[6a]C[6a]2)3(NB)	N(PC[6a]3)(BC[6]2)	B(C[6]C[6]2H)2(NP)	P(C[6a]C[6a]2)3(NB)	141.5880	0.000	1	141.5880	0.000	1	141.5880	0.000	1	141.5880	0.000	1	145.0064	162.282	9	145.0064	162.282	9
941	778	930	0:SP2_SP2_SPD5	N	C[3x3,4,3x5,14x6]	C	5:3:	6:6:6:6:2:	2:3:1:	C[3x3,4,3x5,14x6]-5:C-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:N-2:	N-2:C[6a]-3:H-1:	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[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(NC)	C(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)(H)	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[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(NC){1|B<6>,1|N<2>,5|H<1>}	C(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)(H)	120.2525	1.090	4	120.2525	1.188	4	120.2525	1.188	4	120.2525	1.188	4	120.2525	1.188	4	120.2525	1.188	4
941	778	941	0:SP2_SP2_SPD5	N	C[3x3,4,3x5,14x6]	N	5:2:	6:6:6:6:2:	2:2:	C[3x3,4,3x5,14x6]-5:N-2:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:N-2:	N-2:N-2:	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NN)	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(NN)	N(NC[3x3,4,3x5,14x6])(NP)	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NN)	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(NN){1|B<6>,1|C<4>,5|H<1>}	N(NC[3x3,4,3x5,14x6])(NP)	111.4350	0.000	1	111.4350	0.000	1	111.4350	0.000	1	111.4350	0.000	1	111.4350	0.000	1	111.4350	0.000	1
941	778	992	0:SP2_SP3_SPD5	N	C[3x3,4,3x5,14x6]	P	5:4:	6:6:6:6:2:	2:3:3:3:	C[3x3,4,3x5,14x6]-5:P-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:N-2:	N-2:C[6a]-3:C[6a]-3:C[6a]-3:	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]3)	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(NP)	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)3	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]3)	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(NP){1|B<6>,1|C<3>,5|H<1>}	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)3	141.0480	0.000	1	134.6835	15.997	13	134.7147	14.780	14	134.7147	14.780	14	134.6350	13.097	16	134.6350	13.097	16
941	778	992	0:SP2_SP3_SPD5	N	C[3x3,4,3x5,14x6]	P	5:4:	6:6:6:6:2:	2:3:3:3:	C[3x3,4,3x5,14x6]-5:P-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:N-2:	N-2:C[6a]-3:C[6a]-3:C[6a]-3:	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]3)	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(NP)	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)3	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]3)	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(NP){1|B<6>,1|C<4>,5|H<1>}	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)3	132.1590	0.000	1	134.6835	15.997	13	134.7147	14.780	14	134.7147	14.780	14	134.6350	13.097	16	134.6350	13.097	16
941	778	992	0:SP2_SP3_SPD5	N	C[3x3,4,3x5,14x6]	P	5:4:	6:6:6:6:2:	2:3:3:3:	C[3x3,4,3x5,14x6]-5:P-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:N-2:	N-2:C[6a]-3:C[6a]-3:C[6a]-3:	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]3)	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(NP)	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)3	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]3)	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(NP){1|B<6>,1|S<2>,5|H<1>}	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)3	134.2351	3.981	10	134.6835	15.997	13	134.7147	14.780	14	134.7147	14.780	14	134.6350	13.097	16	134.6350	13.097	16
941	778	992	0:SP2_SP3_SPD5	N	C[3x3,4,3x5,14x6]	P	5:4:	6:6:6:6:2:	2:3:3:3:	C[3x3,4,3x5,14x6]-5:P-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:N-2:	N-2:C[6a]-3:C[6a]-3:C[6a]-3:	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]3)	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(NP)	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)3	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]3)	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(NP){1|B<6>,6|H<1>}	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)3	135.3270	0.000	1	134.6835	15.997	13	134.7147	14.780	14	134.7147	14.780	14	134.6350	13.097	16	134.6350	13.097	16
941	778	992	0:SP2_SP3_SPD5	N	C[3x3,4,3x5,14x6]	P	5:4:	6:6:6:6:2:	2:3:3:3:	C[3x3,4,3x5,14x6]-5:P-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:N-2:	N-2:C[6a]-3:C[6a]-3:C[6a]-3:	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]3)	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]Pt)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(NP)	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)3	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]3)	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]Pt)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(NP){1|B<6>,1|S<2>,5|H<1>}	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)3	135.1210	0.000	1	135.1210	0.000	1	134.7147	14.780	14	134.7147	14.780	14	134.6350	13.097	16	134.6350	13.097	16
941	778	992	0:SP2_SP3_SPD5	N	C[3x3,4,3x5,14x6]	P	5:4:	6:6:6:6:2:	2:3:3:4:	C[3x3,4,3x5,14x6]-5:P-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:N-2:	N-2:C[6a]-3:C[6a]-3:C-4:	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]2C)	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(NP)	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)2(CHHP)	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]2C)	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(NP){1|B<6>,1|C<3>,5|H<1>}	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)2(CHHP)	132.7350	0.000	1	132.7350	0.000	1	132.7350	0.000	1	132.7350	0.000	1	134.6350	13.097	16	134.6350	13.097	16
941	778	992	0:SP2_SP3_SPD5	N	C[3x3,4,3x5,14x6]	P	5:4:	6:6:7:6:2:	2:3:3:3:	C[3x3,4,3x5,14x6]-5:P-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-7:B[4x3,4,5x5,21x6]-6:N-2:	N-2:C[6a]-3:C[6a]-3:C[6a]-3:	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]3)	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]PdH)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(NP)	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)3	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]3)	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]PdH)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(NP){1|B<6>,1|S<2>,5|H<1>}	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)3	135.4190	0.000	1	135.4190	0.000	1	135.4190	0.000	1	135.4190	0.000	1	134.6350	13.097	16	134.6350	13.097	16
941	786	941	0:SP2_SP2_SP3	N	B[5]	N	4:2:	3:3:3:2:	2:1:	B[5]-4:N-2:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N-2:	N-2:N-1:	N(B[5]C[5,6a]2N[6])(NN)	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(NN)	N(NB[5])(N)	N(B[5]C[5,6a]2N[6])(NN)	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(NN){4|H<1>,6|C<3>}	N(NB[5])(N)	120.9914	1.954	5	120.9914	3.818	5	120.9914	3.818	5	120.9914	3.818	5	120.9914	3.818	5	120.9914	3.818	5
941	790	930	0:SP2_SP-NON_SP2	N	Cl	C	3:1:	2:	3:3:2:	C-3:Cl-1:	N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(Cl)	Cl(NC)	C(C[6a]C[6a]2)(NCl2)(NCl)	N(CC[6a]N)(Cl)	Cl(NC)	C(C[6a]C[6a]2)(NCl2)(NCl)	114.7680	0.000	1	114.7680	0.000	1	114.7680	0.000	1	114.3120	0.145	4	114.6149	3.492	8	114.6149	3.492	8
941	790	930	0:SP2_SP-NON_SP2	N	Cl	C	3:1:	2:	3:3:2:	C-3:Cl-1:	N-2:	N-3:N-3:N-2:	N(CNN)(Cl)	Cl(NC)	C(NCH)2(NCl)	N(CNN)(Cl)	Cl(NC)	C(NCH)2(NCl)	114.1600	0.281	3	114.1600	0.079	3	114.1600	0.079	3	114.3120	0.145	4	114.6149	3.492	8	114.6149	3.492	8
941	790	930	0:SP2_SP-NON_SP2	N	Cl	C	3:1:	2:	4:2:2:	C-3:Cl-1:	N-2:	C-4:N-2:N-2:	N(CCN)(Cl)	Cl(NC)	C(CClNN)(NCl)(NN)	N(CCN)(Cl)	Cl(NC)	C(CClNN)(NCl)(NN)	117.2835	0.350	2	117.2835	0.123	2	117.2835	0.123	2	117.2835	0.123	2	114.6149	3.492	8	114.6149	3.492	8
941	790	930	0:SP2_SP-NON_SP2	N	Cl	C	3:1:	2:	4:3:2:	C-3:Cl-1:	N-2:	C-4:N-3:N-2:	N(CCN)(Cl)	Cl(NC)	C(CClNN)(NCH)(NCl)	N(CCN)(Cl)	Cl(NC)	C(CClNN)(NCH)(NCl)	113.1700	0.000	1	113.1700	0.000	1	112.5520	0.764	2	112.5520	0.764	2	114.6149	3.492	8	114.6149	3.492	8
941	790	930	0:SP2_SP-NON_SP2	N	Cl	C	3:1:	2:	4:3:2:	C-3:Cl-1:	N-2:	C-4:N-3:N-2:	N(CCN)(Cl)	Cl(NC)	C(CClNN)(NHH)(NCl)	N(CCN)(Cl)	Cl(NC)	C(CClNN)(NHH)(NCl)	111.9340	0.000	1	111.9340	0.000	1	112.5520	0.764	2	112.5520	0.764	2	114.6149	3.492	8	114.6149	3.492	8
941	811	941	0:SP2_SP2_SP3	N	B[6a]	N	4:2:	3:3:3:2:	2:1:	B[6a]-4:N-2:	C[6a]-3:N[6a]-3:N[6a]-3:N-2:	N-2:N-1:	N(B[6a]C[6a]N[6a]2)(NN)	B[6a](C[6a]C[6a]2)(N[6a]B[6a]N)2(NN)	N(NB[6a])(N)	N(B[6a]C[6a]N[6a]2)(NN)	B[6a](C[6a]C[6a]2)(N[6a]B[6a]N)2(NN){1|N<3>,2|F<1>,2|N<2>,4|C<3>}	N(NB[6a])(N)	121.1297	0.306	3	121.1297	0.094	3	121.1297	0.094	3	121.1297	0.094	3	121.1297	0.094	3	121.1297	0.094	3
941	813	818	0:SP2_SP2_SP2	N	N[5a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5,6a]-3:C[5,6a]-3:N-2:	N(C[5]C[5,6a]2)(N[5a]C[5a]2)	N[5a](C[5a]N[5a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])2(NN[5a])	N(C[5]C[5,6a]2)(N[5a]C[5a]2)	N[5a](C[5a]N[5a]H)2(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])2(NN[5a]){2|C<3>,2|H<1>,2|N<2>}	116.0280	0.000	1	116.0280	0.000	1	116.0280	0.000	1	116.0280	0.000	1	114.3575	5.581	2	114.3575	5.581	2
941	813	818	0:SP2_SP2_SP2	N	N[5a]	C[5]	3:3:	3:3:2:	4:4:2:	N[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:N-2:	C[5]-4:C[5]-4:N-2:	N(N[5a]C[5a]2)(C[5]C[5]2)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(NC[5])	C[5](C[5]C[5]HH)2(NN[5a])	N(N[5a]C[5a]2)(C[5]C[5]2)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(NC[5]){1|C<3>}	C[5](C[5]C[5]HH)2(NN[5a]){4|H<1>}	112.6870	0.000	1	112.6870	0.000	1	112.6870	0.000	1	112.6870	0.000	1	114.3575	5.581	2	114.3575	5.581	2
941	813	863	0:SP2_SP2_SP2	N	N[5a]	O	3:1:	3:3:2:	2:	N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:N-2:	N-2:	N(N[5a]C[5a,6a]C[5a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NO)	O(NN[5a])	N(N[5a]C[5a,6a]C[5a])(O)	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>}	O(NN[5a])	114.3320	0.000	1	114.3320	0.000	1	114.3320	0.000	1	114.3320	0.000	1	114.3320	0.000	1	114.3320	0.000	1
941	813	901	0:SP2_SP1_SP2	N	N[5a]	N	3:1:	4:4:2:	2:	N[5a]-3:N-1:	B[5a]-4:B[5a]-4:N-2:	N-2:	N(N[5a]B[5a]2)(N)	N[5a](B[5a]N[5,5a]C[6]2)2(NN)	N(NN[5a])	N(N[5a]B[5a]2)(N)	N[5a](B[5a]N[5,5a]C[6]2)2(NN){1|C<3>,1|N<2>,4|H<1>,8|C<4>}	N(NN[5a])	177.5790	0.000	1	177.5790	0.000	1	177.9430	0.265	2	177.9430	0.265	2	177.9430	0.265	2	177.9430	0.265	2
941	813	901	0:SP2_SP1_SP2	N	N[5a]	N	3:1:	4:4:2:	2:	N[5a]-3:N-1:	B[5a]-4:B[5a]-4:N-2:	N-2:	N(N[5a]B[5a]2)(N)	N[5a](B[5a]N[5,5a]C[6a]2)2(NN)	N(NN[5a])	N(N[5a]B[5a]2)(N)	N[5a](B[5a]N[5,5a]C[6a]2)2(NN){1|N<2>,9|C<3>}	N(NN[5a])	178.3070	0.000	1	178.3070	0.000	1	177.9430	0.265	2	177.9430	0.265	2	177.9430	0.265	2	177.9430	0.265	2
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:2:2:	2:3:1:	N[5a]-3:C-3:	C[5a]-3:N[5a]-2:N-2:	N-2:C-3:H-1:	N(N[5a]C[5a]N[5a])(CCH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC)	C(NN[5a])(CHN)(H)	N(N[5a]C[5a]N[5a])(CCH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC){1|H<1>}	C(NN[5a])(CHN)(H)	116.9810	0.000	1	116.9810	0.000	1	116.9810	0.000	1	116.9810	0.000	1	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:2:2:	2:4:3:	N[5a]-3:C-3:	C[5a]-3:N[5a]-2:N-2:	N-2:C-4:C-3:	N(N[5a]C[5a]N[5a])(CCC)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	C(NN[5a])(CH3)(CCH)	N(N[5a]C[5a]N[5a])(CCC)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	C(NN[5a])(CH3)(CCH)	117.5720	0.000	1	117.5720	0.000	1	117.5720	0.000	1	118.1775	0.733	2	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:2:2:	2:4:3:	N[5a]-3:C-3:	C[5a]-3:N[5a]-2:N-2:	N-2:C-4:N-3:	N(N[5a]C[5a]N[5a])(CCN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NC)	C(NN[5a])(CClNN)(NHH)	N(N[5a]C[5a]N[5a])(CCN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NC)	C(NN[5a])(CClNN)(NHH)	118.7830	0.000	1	118.7830	0.000	1	118.7830	0.000	1	118.1775	0.733	2	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:2:2:	2:4:4:	N[5a]-3:C-3:	C[5a]-3:N[5a]-2:N-2:	N-2:C-4:C-4:	N(N[5a]C[5a]N[5a])(CCC)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	C(NN[5a])(CH3)2	N(N[5a]C[5a]N[5a])(CCC)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	C(NN[5a])(CH3)2	118.5857	3.987	3	118.5857	15.898	3	118.5857	15.898	3	118.5857	15.898	3	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:2:2:	3:2:1:	N[5a]-3:C-3:	C[5a]-3:N[5a]-2:N-2:	C-3:N-2:H-1:	N(N[5a]C[5a]N[5a])(CCH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC)	C(CC[6a]N)(NN[5a])(H)	N(N[5a]C[5a]N[5a])(CCH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC){1|H<1>}	C(CC[6a]N)(NN[5a])(H)	115.0400	0.000	1	115.0400	0.000	1	115.0400	0.000	1	114.5255	0.529	2	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:2:2:	3:2:1:	N[5a]-3:C-3:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:H-1:	N(N[5a]C[5a]N[5a])(CC[5a]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC)	C(C[5a]C[5a]O[5a])(NN[5a])(H)	N(N[5a]C[5a]N[5a])(CC[5a]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC){1|H<1>}	C(C[5a]C[5a]O[5a])(NN[5a])(H)	114.0110	0.000	1	114.0110	0.000	1	114.0110	0.000	1	114.5255	0.529	2	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	2:4:3:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	N-2:C-4:C-3:	N(N[5a]C[5a]2)(CCC)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(NC)	C(NN[5a])(CCHH)(COO)	N(N[5a]C[5a]2)(CCC)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(NC){2|C<3>,2|C<4>}	C(NN[5a])(CCHH)(COO)	116.5990	0.000	1	116.5990	0.000	1	116.5990	0.000	1	116.5990	0.000	1	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	2:4:4:	N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:N-2:	N-2:C-4:C-4:	N(N[5a]C[5a,6a]C[5a])(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NC)	C(NN[5a])(CH3)2	N(N[5a]C[5a,6a]C[5a])(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NC){1|F<1>,3|C<3>}	C(NN[5a])(CH3)2	114.2950	0.000	1	114.2950	0.000	1	115.5165	2.984	2	115.7283	1.642	6	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	2:4:4:	N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:N-2:	N-2:C-4:C-4:	N(N[5a]C[5a,6a]C[5a])(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC)	C(NN[5a])(CCCH)(CH3)	N(N[5a]C[5a,6a]C[5a])(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC){1|H<1>,2|C<3>}	C(NN[5a])(CCCH)(CH3)	116.7380	0.000	1	116.7380	0.000	1	115.5165	2.984	2	115.7283	1.642	6	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	2:4:4:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	N-2:C-4:C-4:	N(N[5a]C[5a]2)(CCC)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NC)	C(NN[5a])(CC3)(CH3)	N(N[5a]C[5a]2)(CCC)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NC)	C(NN[5a])(CC3)(CH3)	117.6360	0.000	1	117.6360	0.000	1	115.8342	1.697	4	115.7283	1.642	6	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	2:4:4:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	N-2:C-4:C-4:	N(N[5a]C[5a]2)(CCC)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NC)	C(NN[5a])(CCCH)(CH3)	N(N[5a]C[5a]2)(CCC)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NC)	C(NN[5a])(CCCH)(CH3)	114.8870	0.202	2	114.8870	0.041	2	115.8342	1.697	4	115.7283	1.642	6	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	2:4:4:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	N-2:C-4:C-4:	N(N[5a]C[5a]2)(CCC)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NC)	C(NN[5a])(CCHH)(CH3)	N(N[5a]C[5a]2)(CCC)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NC)	C(NN[5a])(CCHH)(CH3)	115.9270	0.000	1	115.9270	0.000	1	115.8342	1.697	4	115.7283	1.642	6	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	3:2:1:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[5]-3:N-2:H-1:	N(N[5a]C[5a]2)(CC[5]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC)	C(C[5]C[5]S[5])(NN[5a])(H)	N(N[5a]C[5a]2)(CC[5]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC){2|C<3>}	C(C[5]C[5]S[5])(NN[5a])(H)	118.2480	0.000	1	118.2480	0.000	1	118.2480	0.000	1	116.9352	3.776	47	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	3:2:1:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:N-2:H-1:	N(N[5a]C[5a]2)(CC[5a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC)	C(C[5a]C[5a]2)(NN[5a])(H)	N(N[5a]C[5a]2)(CC[5a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC){2|C<3>}	C(C[5a]C[5a]2)(NN[5a])(H)	117.5290	0.000	1	117.5290	0.000	1	115.7450	2.609	3	116.9352	3.776	47	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	3:2:1:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:N-2:H-1:	N(N[5a]C[5a]2)(CC[5a]H)	N[5a](C[5a]N[5a]H)2(NC)	C(C[5a]C[5a]O[5a])(NN[5a])(H)	N(N[5a]C[5a]2)(CC[5a]H)	N[5a](C[5a]N[5a]H)2(NC)	C(C[5a]C[5a]O[5a])(NN[5a])(H)	114.8530	0.666	2	114.8530	0.444	2	115.7450	2.609	3	116.9352	3.776	47	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	3:2:1:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[6]-3:N-2:H-1:	N(N[5a]C[5a]2)(CC[6]H)	N[5a](C[5a]N[5a]H)2(NC)	C(C[6]C[6]2)(NN[5a])(H)	N(N[5a]C[5a]2)(CC[6]H)	N[5a](C[5a]N[5a]H)2(NC)	C(C[6]C[6]2)(NN[5a])(H)	116.6590	0.000	1	116.6590	0.000	1	116.6590	0.000	1	116.9352	3.776	47	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	3:2:1:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5a]C[5a]2)(CC[6a]H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(NC)	C(C[6a]C[6a,6a]C[6a])(NN[5a])(H)	N(N[5a]C[5a]2)(CC[6a]H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(NC){1|H<1>}	C(C[6a]C[6a,6a]C[6a])(NN[5a])(H)	121.4750	0.000	1	121.4750	0.000	1	117.0313	4.002	41	116.9352	3.776	47	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	3:2:1:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5a]C[5a]2)(CC[6a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC)	C(C[6a]C[6a]2)(NN[5a])(H)	N(N[5a]C[5a]2)(CC[6a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC){2|C<3>}	C(C[6a]C[6a]2)(NN[5a])(H)	114.5908	1.060	6	114.5908	1.124	6	117.0313	4.002	41	116.9352	3.776	47	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	3:2:1:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5a]C[5a]2)(CC[6a]H)	N[5a](C[5a]C[6a]N[5a])2(NC)	C(C[6a]C[6a]2)(NN[5a])(H)	N(N[5a]C[5a]2)(CC[6a]H)	N[5a](C[5a]C[6a]N[5a])2(NC){4|C<3>}	C(C[6a]C[6a]2)(NN[5a])(H)	114.9280	0.000	1	114.9280	0.000	1	117.0313	4.002	41	116.9352	3.776	47	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	3:2:1:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5a]C[5a]2)(CC[6a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C(C[6a]C[6a]2)(NN[5a])(H)	N(N[5a]C[5a]2)(CC[6a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>}	C(C[6a]C[6a]2)(NN[5a])(H)	119.3500	0.497	6	119.3095	0.510	11	117.0313	4.002	41	116.9352	3.776	47	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	3:2:1:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5a]C[5a]2)(CC[6a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C(C[6a]C[6a]2)(NN[5a])(H)	N(N[5a]C[5a]2)(CC[6a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|H<1>}	C(C[6a]C[6a]2)(NN[5a])(H)	119.2608	0.980	5	119.3095	0.510	11	117.0313	4.002	41	116.9352	3.776	47	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	3:2:1:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5a]C[5a]2)(CC[6a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C(C[6a]C[6a]N[6a])(NN[5a])(H)	N(N[5a]C[5a]2)(CC[6a]H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|H<1>}	C(C[6a]C[6a]N[6a])(NN[5a])(H)	117.2790	0.000	1	117.2790	0.000	1	117.0313	4.002	41	116.9352	3.776	47	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	3:2:1:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5a]C[5a]2)(CC[6a]H)	N[5a](C[5a]N[5a]H)2(NC)	C(C[6a]C[6a,6a]C[6a])(NN[5a])(H)	N(N[5a]C[5a]2)(CC[6a]H)	N[5a](C[5a]N[5a]H)2(NC)	C(C[6a]C[6a,6a]C[6a])(NN[5a])(H)	115.7980	2.650	2	115.7980	7.024	2	117.0313	4.002	41	116.9352	3.776	47	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	3:2:1:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5a]C[5a]2)(CC[6a]H)	N[5a](C[5a]N[5a]H)2(NC)	C(C[6a]C[6a]2)(NN[5a])(H)	N(N[5a]C[5a]2)(CC[6a]H)	N[5a](C[5a]N[5a]H)2(NC)	C(C[6a]C[6a]2)(NN[5a])(H)	116.4766	0.954	19	116.4766	0.910	19	117.0313	4.002	41	116.9352	3.776	47	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	3:2:1:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:O-1:	N(N[5a]C[5a]2)(CC[6a]O)	N[5a](C[5a]C[5a]C)2(NC)	C(C[6a]C[6a]2)(NN[5a])(O)	N(N[5a]C[5a]2)(CC[6a]O)	N[5a](C[5a]C[5a]C)2(NC){2|H<1>}	C(C[6a]C[6a]2)(NN[5a])(O)	115.5290	0.000	1	115.5290	0.000	1	115.5290	0.000	1	116.9352	3.776	47	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	3:4:2:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:C-4:N-2:	N(N[5a]C[5a]2)(CC[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NC)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(NN[5a])	N(N[5a]C[5a]2)(CC[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NC){1|N<2>,1|N<3>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(NN[5a])	117.1570	0.000	1	117.1570	0.000	1	117.1570	0.000	1	115.9170	1.033	4	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	3:4:2:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:C-4:N-2:	N(N[5a]C[5a]2)(CC[6a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NC)	C(C[6a]C[6a]2)(CN[6]HH)(NN[5a])	N(N[5a]C[5a]2)(CC[6a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NC){1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(CN[6]HH)(NN[5a])	115.5037	0.724	3	115.5037	0.525	3	115.5037	0.525	3	115.9170	1.033	4	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	4:2:1:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[5]-4:N-2:O-1:	N(N[5a]C[5a]2)(CC[5]O)	N[5a](C[5a]C[6a]N[5a])2(NC)	C(C[5]C[5]2Co)(NN[5a])(O)	N(N[5a]C[5a]2)(CC[5]O)	N[5a](C[5a]C[6a]N[5a])2(NC){2|C<3>,2|N<2>}	C(C[5]C[5]2Co)(NN[5a])(O)	117.5840	0.000	1	117.5840	0.000	1	117.5840	0.000	1	117.5840	0.000	1	116.7864	3.821	68	116.7864	3.821	68
941	813	930	0:SP2_SP2_SP2	N	N[5a]	C	3:3:	3:3:2:	4:2:4:	N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[5]-4:N-2:C-4:	N(N[5a]C[5a]2)(CC[5]C)	N[5a](C[5a]N[5a]C)2(NC)	C(C[5]C[5]2Fe)(NN[5a])(CH3)	N(N[5a]C[5a]2)(CC[5]C)	N[5a](C[5a]N[5a]C)2(NC)	C(C[5]C[5]2Fe)(NN[5a])(CH3)	115.1530	0.000	1	115.1530	0.000	1	115.1530	0.000	1	115.1530	0.000	1	116.7864	3.821	68	116.7864	3.821	68
941	813	941	0:SP2_SP2_SP2	N	N[5a]	N	3:2:	3:2:2:	3:2:	N[5a]-3:N-2:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N-2:	N(N[5a]C[5a]N[5a])(NN[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NN)	N(N[5a]C[5a]N[5a])(NN[5a])	N(N[5a]C[5a]N[5a])(NN[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NN){1|H<1>}	N(N[5a]C[5a]N[5a])(NN[5a])	110.0750	0.000	1	110.0750	0.000	1	108.9712	9.933	4	108.9712	9.933	4	109.7412	4.416	9	109.7412	4.416	9
941	813	941	0:SP2_SP2_SP2	N	N[5a]	N	3:2:	3:2:2:	3:2:	N[5a]-3:N-2:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N-2:	N(N[5a]C[5a]N[5a])(NN[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NN)	N(N[5a]C[5a]N[5a])(NN[5a])	N(N[5a]C[5a]N[5a])(NN[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NN)	N(N[5a]C[5a]N[5a])(NN[5a])	110.7660	0.335	2	110.7660	0.112	2	108.9712	9.933	4	108.9712	9.933	4	109.7412	4.416	9	109.7412	4.416	9
941	813	941	0:SP2_SP2_SP2	N	N[5a]	N	3:2:	3:2:2:	3:2:	N[5a]-3:N-2:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N-2:	N(N[5a]C[5a]N[5a])(NN[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NN)	N(N[5a]C[5a]N[5a])(NN[5a])	N(N[5a]C[5a]N[5a])(NN[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NN)	N(N[5a]C[5a]N[5a])(NN[5a])	104.2780	0.000	1	104.2780	0.000	1	108.9712	9.933	4	108.9712	9.933	4	109.7412	4.416	9	109.7412	4.416	9
941	813	941	0:SP2_SP2_SP2	N	N[5a]	N	3:2:	3:3:2:	3:2:	N[5a]-3:N-2:	C[5a]-3:C[5a]-3:N-2:	N[5]-3:N-2:	N(N[5a]C[5a]2)(NN[5])	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(NN)	N(N[5]C[5]2)(NN[5a])	N(N[5a]C[5a]2)(NN[5])	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(NN){1|H<1>}	N(N[5]C[5]2)(NN[5a])	110.0890	0.723	2	110.0890	0.522	2	110.0890	0.522	2	110.3572	0.314	5	109.7412	4.416	9	109.7412	4.416	9
941	813	941	0:SP2_SP2_SP2	N	N[5a]	N	3:2:	3:3:2:	3:2:	N[5a]-3:N-2:	C[5a]-3:C[5a]-3:N-2:	N[5a]-3:N-2:	N(N[5a]C[5a]2)(NN[5a])	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(NN)	N(N[5a]C[5a]2)(NN[5a])	N(N[5a]C[5a]2)(NN[5a])	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(NN){1|H<1>}	N(N[5a]C[5a]2)(NN[5a])	110.1170	0.000	1	110.1170	0.000	1	110.5360	0.248	3	110.3572	0.314	5	109.7412	4.416	9	109.7412	4.416	9
941	813	941	0:SP2_SP2_SP2	N	N[5a]	N	3:2:	3:3:2:	3:2:	N[5a]-3:N-2:	C[5a]-3:C[5a]-3:N-2:	N[5a]-3:N-2:	N(N[5a]C[5a]2)(NN[5a])	N[5a](C[5a]N[5a]H)2(NN)	N(N[5a]C[5a]2)(NN[5a])	N(N[5a]C[5a]2)(NN[5a])	N[5a](C[5a]N[5a]H)2(NN)	N(N[5a]C[5a]2)(NN[5a])	110.7455	0.482	2	110.7455	0.232	2	110.5360	0.248	3	110.3572	0.314	5	109.7412	4.416	9	109.7412	4.416	9
941	813	951	0:SP2_SP-NON_SP2	N	N[5a]	H	3:1:	3:3:2:	2:	N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-2:	N-2:	N(N[5a]C[5a]2)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NH)	H(NN[5a])	N(N[5a]C[5a]2)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NH){4|C<3>}	H(NN[5a])	102.9730	0.000	1	102.9730	0.000	1	108.7865	67.594	2	108.7865	67.594	2	108.7865	67.594	2	108.7865	67.594	2
941	813	951	0:SP2_SP-NON_SP2	N	N[5a]	H	3:1:	3:3:2:	2:	N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-2:	N-2:	N(N[5a]C[5a]2)(H)	N[5a](C[5a]N[5a]C)2(NH)	H(NN[5a])	N(N[5a]C[5a]2)(H)	N[5a](C[5a]N[5a]C)2(NH)	H(NN[5a])	114.6000	0.000	1	114.6000	0.000	1	108.7865	67.594	2	108.7865	67.594	2	108.7865	67.594	2	108.7865	67.594	2
941	813	956	0:SP2_SP2_SP2	N	N[5a]	N	3:3:	2:2:2:	2:1:1:	N[5a]-3:N-3:	N[5a]-2:N[5a]-2:N-2:	N-2:O-1:O-1:	N(N[5a]N[5a]2)(NOO)	N[5a](N[5a]N[5a])2(NN)	N(NN[5a])(O)2	N(N[5a]N[5a]2)(NOO)	N[5a](N[5a]N[5a])2(NN)	N(NN[5a])(O)2	117.3263	0.188	3	117.3263	0.035	3	117.3263	0.035	3	117.3263	0.035	3	111.4561	16.538	10	111.4561	16.538	10
941	813	956	0:SP2_SP2_SP2	N	N[5a]	N	3:3:	3:2:2:	2:1:1:	N[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(N[5a]C[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NN)	N(NN[5a])(O)2	N(N[5a]C[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NN){1|N<2>,1|N<3>}	N(NN[5a])(O)2	108.8896	0.411	5	108.8896	0.169	5	108.8896	0.169	5	108.8896	0.169	5	111.4561	16.538	10	111.4561	16.538	10
941	813	956	0:SP2_SP2_SP2	N	N[5a]	N	3:3:	3:3:2:	2:1:1:	N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-2:	N-2:O-1:O-1:	N(N[5a]C[5a]2)(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(NN)	N(NN[5a])(O)2	N(N[5a]C[5a]2)(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(NN){1|N<3>}	N(NN[5a])(O)2	109.4950	0.000	1	109.4950	0.000	1	109.0670	0.366	2	109.0670	0.366	2	111.4561	16.538	10	111.4561	16.538	10
941	813	956	0:SP2_SP2_SP2	N	N[5a]	N	3:3:	3:3:2:	2:1:1:	N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-2:	N-2:O-1:O-1:	N(N[5a]C[5a]2)(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NN)	N(NN[5a])(O)2	N(N[5a]C[5a]2)(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NN){1|C<3>,1|N<2>}	N(NN[5a])(O)2	108.6390	0.000	1	108.6390	0.000	1	109.0670	0.366	2	109.0670	0.366	2	111.4561	16.538	10	111.4561	16.538	10
941	818	818	0:SP2_SP2_SP2	N	C[5]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:N[5]-2:N-2:	N(C[5]C[5,6a]N[5])2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5])	N(C[5]C[5,6a]N[5])2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5]){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5]){1|H<1>,1|N<2>,2|C<3>}	120.9752	1.235	12	120.9752	1.526	12	120.9752	1.526	12	121.8366	3.022	17	122.1295	4.220	22	122.1295	4.220	22
941	818	818	0:SP2_SP2_SP2	N	C[5]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:	C[5,6a]-3:O[5]-2:N-2:	C[5,6a]-3:O[5]-2:N-2:	N(C[5]C[5,6a]O[5])2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(NC[5])	N(C[5]C[5,6a]O[5])2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(NC[5]){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(NC[5]){1|C<4>,1|H<1>,2|C<3>}	124.3250	0.000	1	124.3250	0.000	1	124.3250	0.000	1	121.8366	3.022	17	122.1295	4.220	22	122.1295	4.220	22
941	818	818	0:SP2_SP2_SP2	N	C[5]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:	C[5]-3:N[5]-2:N-2:	C[5]-3:N[5]-2:N-2:	N(C[5]C[5]N[5])2	C[5](C[5]C[5]H)(N[5]C[5])(NC[5])	C[5](C[5]C[5]H)(N[5]C[5])(NC[5])	N(C[5]C[5]N[5])2	C[5](C[5]C[5]H)(N[5]C[5])(NC[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(NC[5]){1|C<3>,1|H<1>}	124.2610	0.000	1	124.2610	0.000	1	124.2610	0.000	1	121.8366	3.022	17	122.1295	4.220	22	122.1295	4.220	22
941	818	818	0:SP2_SP2_SP2	N	C[5]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:	N[5]-3:S[5]-2:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])2	C[5](N[5]C[5,6a]Al)(S[5]C[5,6a])(NC[5])	C[5](N[5]C[5,6a]Al)(S[5]C[5,6a])(NC[5])	N(C[5]N[5]S[5])2	C[5](N[5]C[5,6a]Al)(S[5]C[5,6a])(NC[5]){2|C<3>}	C[5](N[5]C[5,6a]Al)(S[5]C[5,6a])(NC[5]){2|C<3>}	122.9660	0.000	1	122.9660	0.000	1	123.6450	0.391	3	121.8366	3.022	17	122.1295	4.220	22	122.1295	4.220	22
941	818	818	0:SP2_SP2_SP2	N	C[5]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:	N[5]-3:S[5]-2:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NC[5])	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NC[5])	N(C[5]N[5]S[5])2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NC[5]){2|C<3>}	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NC[5]){2|C<3>}	123.9845	0.299	2	123.9845	0.089	2	123.6450	0.391	3	121.8366	3.022	17	122.1295	4.220	22	122.1295	4.220	22
941	818	818	0:SP2_SP2_SP2	N	C[5]	C[5]	3:3:	3:2:2:	3:3:2:	C[5]-3:C[5]-3:	N[5]-3:S[5]-2:N-2:	N[5]-3:N[5]-3:N-2:	N(C[5]N[5]S[5])(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC[5])	C[5](N[5]C[5,6a]H)2(NC[5])	N(C[5]N[5]S[5])(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC[5]){1|O<2>,2|H<1>,3|C<3>}	C[5](N[5]C[5,6a]H)2(NC[5]){2|C<3>}	122.2870	0.000	1	122.2870	0.000	1	122.2870	0.000	1	122.2870	0.000	1	122.1295	4.220	22	122.1295	4.220	22
941	818	818	0:SP2_SP2_SP2	N	C[5]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[5]-3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:N[5]-2:N-2:	N(C[5]C[5,6a]N[5])2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5])	N(C[5]C[5,6a]N[5])2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(NC[5]){2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5]){1|H<1>,3|C<3>}	120.3550	0.000	1	120.3550	0.000	1	120.3550	0.000	1	120.3550	0.000	1	122.1295	4.220	22	122.1295	4.220	22
941	818	818	0:SP2_SP2_SP2	N	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:N[5]-3:N-2:	N(C[5]C[5,6a]N[5])2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(NC[5])	N(C[5]C[5,6a]N[5])2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(NC[5]){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(NC[5]){1|H<1>,1|O<1>,2|C<3>}	122.4675	0.586	2	122.4675	0.344	2	122.4675	0.344	2	124.3283	10.560	3	122.1295	4.220	22	122.1295	4.220	22
941	818	818	0:SP2_SP2_SP2	N	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	N[5]-3:N[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	N(C[5]N[5]2)2	C[5](N[5]C[5]C)2(NC[5])	C[5](N[5]C[5]C)2(NC[5])	N(C[5]N[5]2)2	C[5](N[5]C[5]C)2(NC[5]){2|C<3>,2|H<1>}	C[5](N[5]C[5]C)2(NC[5]){2|C<3>,2|H<1>}	128.0500	0.000	1	128.0500	0.000	1	128.0500	0.000	1	124.3283	10.560	3	122.1295	4.220	22	122.1295	4.220	22
941	818	872	0:SP2_SP2_SP3	N	C[5]	Si[3]	4:3:	3:3:2:	3:3:2:4:	Si[3]-4:C[5]-3:	N[5]-3:N[5]-3:N-2:	C[3]-3:C[3]-3:N-2:Si-4:	N(Si[3]C[3]2Si)(C[5]N[5]2)	C[5](N[5]C[5]C)2(NSi[3])	Si[3](C[3]C[6a]C[3])2(NC[5])(SiC3)	N(Si[3]C[3]2Si)(C[5]N[5]2)	C[5](N[5]C[5]C)2(NSi[3]){2|H<1>}	Si[3](C[3]C[6a]C[3])2(NC[5])(SiC3){4|C<3>}	154.1030	0.000	1	154.1030	0.000	1	154.1030	0.000	1	154.1030	0.000	1	154.1030	0.000	1	154.1030	0.000	1
941	818	880	0:SP2_SP2_SP3	N	C[5]	Si	3:4:	3:3:2:	2:1:1:1:	C[5]-3:Si-4:	N[5]-3:N[5]-3:N-2:	N-2:Br-1:Br-1:Br-1:	N(C[5]N[5]2)(SiBr3)	C[5](N[5]C[5]C)2(NSi)	Si(NC[5])(Br)3	N(C[5]N[5]2)(SiBr3)	C[5](N[5]C[5]C)2(NSi){2|H<1>}	Si(NC[5])(Br)3	155.3123	0.743	4	155.3123	0.552	4	155.3123	0.552	4	155.3123	0.552	4	153.7855	91.013	21	153.7855	91.013	21
941	818	880	0:SP2_SP2_SP3	N	C[5]	Si	3:4:	3:3:2:	2:2:1:1:	C[5]-3:Si-4:	N[5]-3:N[5]-3:N-2:	N-2:N-2:Br-1:Br-1:	N(C[5]N[5]2)(SiBr2N)	C[5](N[5]C[6a]C[5])2(NSi)	Si(NC[5])2(Br)2	N(C[5]N[5]2)(SiBr2N)	C[5](N[5]C[6a]C[5])2(NSi){2|H<1>,4|C<3>}	Si(NC[5])2(Br)2	143.2865	4.696	2	143.2865	22.051	2	143.2865	22.051	2	143.2865	22.051	2	153.7855	91.013	21	153.7855	91.013	21
941	818	880	0:SP2_SP2_SP3	N	C[5]	Si	3:4:	3:3:2:	2:4:3:2:	C[5]-3:Si-4:	N[5]-3:N[5]-3:N-2:	N-2:Si-4:C-3:O-2:	N(C[5]N[5]2)(SiSiCO)	C[5](N[5]C[6a]C[5])2(NSi)	Si(NC[5])(SiC3)(CCH)(OH)	N(C[5]N[5]2)(SiSiCO)	C[5](N[5]C[6a]C[5])2(NSi){2|H<1>,4|C<3>}	Si(NC[5])(SiC3)(CCH)(OH)	144.9430	0.000	1	144.9430	0.000	1	144.9430	0.000	1	144.9430	0.000	1	153.7855	91.013	21	153.7855	91.013	21
941	818	880	0:SP2_SP2_SP3	N	C[5]	Si	3:4:	3:3:2:	2:4:4:4:	C[5]-3:Si-4:	N[5]-3:N[5]-3:N-2:	N-2:C-4:C-4:C-4:	N(C[5]N[5]2)(SiC3)	C[5](N[5]C[5]C)2(NSi)	Si(NC[5])(CH3)3	N(C[5]N[5]2)(SiC3)	C[5](N[5]C[5]C)2(NSi){1|Si<4>,1|H<1>}	Si(NC[5])(CH3)3	150.8660	0.000	1	160.0955	170.367	2	156.1106	71.159	5	156.1106	71.159	5	153.7855	91.013	21	153.7855	91.013	21
941	818	880	0:SP2_SP2_SP3	N	C[5]	Si	3:4:	3:3:2:	2:4:4:4:	C[5]-3:Si-4:	N[5]-3:N[5]-3:N-2:	N-2:C-4:C-4:C-4:	N(C[5]N[5]2)(SiC3)	C[5](N[5]C[5]C)2(NSi)	Si(NC[5])(CH3)3	N(C[5]N[5]2)(SiC3)	C[5](N[5]C[5]C)2(NSi){2|H<1>}	Si(NC[5])(CH3)3	169.3250	0.000	1	160.0955	170.367	2	156.1106	71.159	5	156.1106	71.159	5	153.7855	91.013	21	153.7855	91.013	21
941	818	880	0:SP2_SP2_SP3	N	C[5]	Si	3:4:	3:3:2:	2:4:4:4:	C[5]-3:Si-4:	N[5]-3:N[5]-3:N-2:	N-2:C-4:C-4:C-4:	N(C[5]N[5]2)(SiC3)	C[5](N[5]C[6a]C[5])2(NSi)	Si(NC[5])(CH3)3	N(C[5]N[5]2)(SiC3)	C[5](N[5]C[6a]C[5])2(NSi){2|H<1>,4|C<3>}	Si(NC[5])(CH3)3	153.4540	5.538	3	153.4540	30.669	3	156.1106	71.159	5	156.1106	71.159	5	153.7855	91.013	21	153.7855	91.013	21
941	818	880	0:SP2_SP2_SP3	N	C[5]	Si	3:4:	3:3:2:	3:2:2:1:	C[5]-3:Si-4:	N[5]-3:N[5]-3:N-2:	C[5]-3:N-2:O-2:O-1:	N(C[5]N[5]2)(SiC[5]OO)	C[5](N[5]C[6a]C[5])2(NSi)	Si(C[5]N[5]2)(NC[5])(OSi)(O)	N(C[5]N[5]2)(SiC[5]OO)	C[5](N[5]C[6a]C[5])2(NSi){2|H<1>,4|C<3>}	Si(C[5]N[5]2)(NC[5])(OSi)(O)	146.1180	0.000	1	146.1180	0.000	1	146.1180	0.000	1	146.1180	0.000	1	153.7855	91.013	21	153.7855	91.013	21
941	818	880	0:SP2_SP2_SP3	N	C[5]	Si	3:4:	3:3:2:	4:2:2:2:	C[5]-3:Si-4:	N[5]-3:N[5]-3:N-2:	Si-4:N-2:O-2:O-2:	N(C[5]N[5]2)(SiSiOO)	C[5](N[5]C[6a]C[5])2(NSi)	Si(SiSi3)(NC[5])(OC)(OH)	N(C[5]N[5]2)(SiSiOO)	C[5](N[5]C[6a]C[5])2(NSi){2|H<1>,4|C<3>}	Si(SiSi3)(NC[5])(OC)(OH)	142.4490	0.000	1	142.4490	0.000	1	142.4490	0.000	1	142.4490	0.000	1	153.7855	91.013	21	153.7855	91.013	21
941	818	880	0:SP2_SP2_SP3	N	C[5]	Si	3:4:	3:3:2:	4:2:4:1:	C[5]-3:Si-4:	N[5]-3:N[5]-3:N-2:	Si-4:N-2:Si-4:H-1:	N(C[5]N[5]2)(SiSi2H)	C[5](N[5]C[5]C)2(NSi)	Si(SiSiHN)(NC[5])(SiC3)(H)	N(C[5]N[5]2)(SiSi2H)	C[5](N[5]C[5]C)2(NSi){2|H<1>}	Si(SiSiHN)(NC[5])(SiC3)(H)	157.5220	1.564	2	157.5220	2.446	2	157.5220	2.446	2	157.5220	2.446	2	153.7855	91.013	21	153.7855	91.013	21
941	818	880	0:SP2_SP2_SP3	N	C[5]	Si	3:4:	3:3:2:	4:2:4:4:	C[5]-3:Si-4:	N[5]-3:N[5]-3:N-2:	C-4:N-2:C-4:Si-4:	N(C[5]N[5]2)(SiSiCC)	C[5](N[5]C[6a]C[5])2(NSi)	Si(CN[5]HH)(NC[5])(CCHH)(SiC3)	N(C[5]N[5]2)(SiSiCC)	C[5](N[5]C[6a]C[5])2(NSi){2|H<1>,4|C<3>}	Si(CN[5]HH)(NC[5])(CCHH)(SiC3)	158.1820	0.000	1	158.1820	0.000	1	158.1820	0.000	1	162.9005	44.528	2	153.7855	91.013	21	153.7855	91.013	21
941	818	880	0:SP2_SP2_SP3	N	C[5]	Si	3:4:	3:3:2:	4:2:4:4:	C[5]-3:Si-4:	N[5]-3:N[5]-3:N-2:	C[5]-4:N-2:C-4:C-4:	N(C[5]N[5]2)(SiC[5]CC)	C[5](N[5]C[5]C)2(NSi)	Si(C[5]C[5]2Cr)(NC[5])(CH3)2	N(C[5]N[5]2)(SiC[5]CC)	C[5](N[5]C[5]C)2(NSi){2|H<1>}	Si(C[5]C[5]2Cr)(NC[5])(CH3)2	167.6190	0.000	1	167.6190	0.000	1	167.6190	0.000	1	162.9005	44.528	2	153.7855	91.013	21	153.7855	91.013	21
941	818	880	0:SP2_SP2_SP3	N	C[5]	Si	3:4:	3:3:2:	4:4:2:1:	C[5]-3:Si-4:	N[5]-3:N[5]-3:N-2:	Si-4:Si-4:N-2:H-1:	N(C[5]N[5]2)(SiSi2H)	C[5](N[5]C[5]C)2(NSi)	Si(SiSiHN)(SiSi3)(NC[5])(H)	N(C[5]N[5]2)(SiSi2H)	C[5](N[5]C[5]C)2(NSi){2|H<1>}	Si(SiSiHN)(SiSi3)(NC[5])(H)	166.1795	8.111	2	166.1795	65.792	2	166.1795	65.792	2	166.1795	65.792	2	153.7855	91.013	21	153.7855	91.013	21
941	818	880	0:SP2_SP2_SP3	N	C[5]	Si	3:4:	3:4:2:	2:4:4:4:	C[5]-3:Si-4:	C[5,6a]-3:C[5]-4:N-2:	N-2:C-4:C-4:C-4:	N(C[5]C[5,6a]C[5])(SiC3)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]NiN)(NSi)	Si(NC[5])(CH3)3	N(C[5]C[5,6a]C[5])(SiC3)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]NiN)(NSi){1|H<1>,3|C<3>}	Si(NC[5])(CH3)3	134.4070	0.000	1	134.4070	0.000	1	134.4070	0.000	1	134.4070	0.000	1	153.7855	91.013	21	153.7855	91.013	21
941	818	887	0:SP2_SP2_SP3	N	C[5]	S	3:3:	3:4:2:	2:4:1:	C[5]-3:S-3:	C[5,6a]-3:C[5]-4:N-2:	N-2:C-4:O-1:	N(C[5]C[5,6a]C[5])(SCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NS)	S(NC[5])(CC3)(O)	N(C[5]C[5,6a]C[5])(SCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NS){1|C<4>,2|C<3>,2|H<1>}	S(NC[5])(CC3)(O)	121.5340	0.000	1	121.5340	0.000	1	121.5340	0.000	1	121.5340	0.000	1	121.5340	0.000	1	121.5340	0.000	1
941	818	893	0:SP2_SP2_SP2	N	C[5,6]	O	3:2:	4:4:2:	2:3:	C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-4:N-2:	N-2:C-3:	N(C[5,6]C[5,5,6]C[5,6])(OC)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NO)	O(NC[5,6])(CCN)	N(C[5,6]C[5,5,6]C[5,6])(OC)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NO){3|C<4>,3|H<1>}	O(NC[5,6])(CCN)	113.6770	0.000	1	113.6770	0.000	1	113.6770	0.000	1	113.6770	0.000	1	111.2255	12.020	2	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5,6]	O	3:2:	4:4:2:	4:2:	C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-4:N-2:	S-4:N-2:	N(C[5,6]C[5,5,6]C[5,6])(OS)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NO)	O(SC[6a]OO)(NC[5,6])	N(C[5,6]C[5,5,6]C[5,6])(OS)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	O(SC[6a]OO)(NC[5,6])	108.7740	0.000	1	108.7740	0.000	1	108.7740	0.000	1	108.7740	0.000	1	111.2255	12.020	2	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	3:2:2:	2:1:	C[5]-3:O-2:	C[5]-3:O[5]-2:N-2:	N-2:H-1:	N(C[5]C[5]O[5])(OH)	C[5](C[5]C[6a]C[5])(O[5]C[5])(NO)	O(NC[5])(H)	N(C[5]C[5]O[5])(OH)	C[5](C[5]C[6a]C[5])(O[5]C[5])(NO){1|C<4>,1|H<1>,3|C<3>}	O(NC[5])(H)	111.6316	0.301	5	111.6316	0.091	5	111.6316	0.091	5	111.6316	0.091	5	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	3:3:2:	2:1:	C[5]-3:O-2:	C[5,6a]-3:C[5,6a]-3:N-2:	N-2:H-1:	N(C[5]C[5,6a]2)(OH)	C[5](C[5,6a]C[5,6a]C[6a])2(NO)	O(NC[5])(H)	N(C[5]C[5,6a]2)(OH)	C[5](C[5,6a]C[5,6a]C[6a])2(NO){2|H<1>,4|C<3>}	O(NC[5])(H)	112.2610	0.000	1	112.2610	0.000	1	112.2610	0.000	1	111.8224	1.448	14	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	3:3:2:	2:1:	C[5]-3:O-2:	C[5,6a]-3:C[5]-3:N-2:	N-2:H-1:	N(C[5]C[5,6a]C[5])(OH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO)	O(NC[5])(H)	N(C[5]C[5,6a]C[5])(OH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO){1|H<1>,3|C<3>}	O(NC[5])(H)	111.9490	0.167	2	111.9490	0.028	2	111.9721	0.233	9	111.8224	1.448	14	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	3:3:2:	2:1:	C[5]-3:O-2:	C[5,6a]-3:C[5]-3:N-2:	N-2:H-1:	N(C[5]C[5,6a]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO)	O(NC[5])(H)	N(C[5]C[5,6a]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){1|C<4>,1|H<1>,2|C<3>}	O(NC[5])(H)	112.0280	0.831	3	111.9787	0.305	7	111.9721	0.233	9	111.8224	1.448	14	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	3:3:2:	2:1:	C[5]-3:O-2:	C[5,6a]-3:C[5]-3:N-2:	N-2:H-1:	N(C[5]C[5,6a]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO)	O(NC[5])(H)	N(C[5]C[5,6a]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){2|C<3>,2|H<1>}	O(NC[5])(H)	111.9417	0.381	4	111.9787	0.305	7	111.9721	0.233	9	111.8224	1.448	14	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	3:3:2:	2:1:	C[5]-3:O-2:	C[5]-3:C[5]-3:N-2:	N-2:H-1:	N(C[5]C[5]2)(OH)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(NO)	O(NC[5])(H)	N(C[5]C[5]2)(OH)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(NO){1|C<4>,2|C<3>}	O(NC[5])(H)	113.0970	0.000	1	113.0970	0.000	1	112.4637	0.781	3	111.8224	1.448	14	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	3:3:2:	2:1:	C[5]-3:O-2:	C[5]-3:C[5]-3:N-2:	N-2:H-1:	N(C[5]C[5]2)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(NO)	O(NC[5])(H)	N(C[5]C[5]2)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(NO){1|C<4>}	O(NC[5])(H)	112.1470	0.980	2	112.1470	0.960	2	112.4637	0.781	3	111.8224	1.448	14	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	3:3:2:	2:1:	C[5]-3:O-2:	C[5]-3:N[5]-3:N-2:	N-2:H-1:	N(C[5]C[5]N[5])(OH)	C[5](C[5]N[5]N)(N[5]C[5]H)(NO)	O(NC[5])(H)	N(C[5]C[5]N[5])(OH)	C[5](C[5]N[5]N)(N[5]C[5]H)(NO){1|C<3>,1|H<1>,1|O<1>}	O(NC[5])(H)	108.1120	0.000	1	108.1120	0.000	1	108.1120	0.000	1	111.8224	1.448	14	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	3:3:2:	2:4:	C[5]-3:O-2:	C[5,6a]-3:C[5,6a]-3:N-2:	N-2:C-4:	N(C[5]C[5,6a]2)(OC)	C[5](C[5,6a]C[5,6a]C[6a])2(NO)	O(NC[5])(CC3)	N(C[5]C[5,6a]2)(OC)	C[5](C[5,6a]C[5,6a]C[6a])2(NO){2|H<1>,4|C<3>}	O(NC[5])(CC3)	110.5380	0.000	1	110.5380	0.000	1	110.5380	0.000	1	110.5380	0.000	1	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	3:3:2:	4:2:	C[5]-3:O-2:	N[5]-3:N[5]-3:N-2:	B-4:N-2:	N(C[5]N[5]2)(OB)	C[5](N[5]C[6a]C[5])2(NO)	O(BC[6a]3)(NC[5])	N(C[5]N[5]2)(OB)	C[5](N[5]C[6a]C[5])2(NO){2|H<1>,4|C<3>}	O(BC[6a]3)(NC[5])	111.5440	0.000	1	111.5440	0.000	1	111.5440	0.000	1	110.7505	1.259	2	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	3:3:2:	4:2:	C[5]-3:O-2:	N[5]-3:N[5]-3:N-2:	C-4:N-2:	N(C[5]N[5]2)(OC)	C[5](N[5]C[6a]C[5])2(NO)	O(CC[6a]3)(NC[5])	N(C[5]N[5]2)(OC)	C[5](N[5]C[6a]C[5])2(NO){2|H<1>,4|C<3>}	O(CC[6a]3)(NC[5])	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	110.7505	1.259	2	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	3:3:2:	5:2:	C[5]-3:O-2:	N[5]-3:N[5]-3:N-2:	Si[3,3]-5:N-2:	N(C[5]N[5]2)(OSi[3,3])	C[5](N[5]C[6a]C[5])2(NO)	O(Si[3,3]Si[3,3]O[3]2O)(NC[5])	N(C[5]N[5]2)(OSi[3,3])	C[5](N[5]C[6a]C[5])2(NO){2|H<1>,4|C<3>}	O(Si[3,3]Si[3,3]O[3]2O)(NC[5])	106.7200	0.000	1	106.7200	0.000	1	106.7200	0.000	1	106.7200	0.000	1	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	3:4:2:	2:1:	C[5]-3:O-2:	C[5,6]-3:C[5]-4:N-2:	N-2:H-1:	N(C[5]C[5,6]C[5])(OH)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(NO)	O(NC[5])(H)	N(C[5]C[5,6]C[5])(OH)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(NO){2|C<4>,2|H<1>}	O(NC[5])(H)	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	111.8148	6.723	5	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	3:4:2:	2:1:	C[5]-3:O-2:	C[5,6a]-3:C[5,5,6]-4:N-2:	N-2:H-1:	N(C[5]C[5,5,6]C[5,6a])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(NO)	O(NC[5])(H)	N(C[5]C[5,5,6]C[5,6a])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(NO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(NC[5])(H)	111.4040	0.000	1	111.4040	0.000	1	111.4040	0.000	1	111.8148	6.723	5	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	3:4:2:	2:1:	C[5]-3:O-2:	C[5,6a]-3:C[5,6]-4:N-2:	N-2:H-1:	N(C[5]C[5,6a]C[5,6])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(NO)	O(NC[5])(H)	N(C[5]C[5,6a]C[5,6])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(NO){2|C<3>,2|C<4>,4|H<1>}	O(NC[5])(H)	115.7820	0.000	1	115.7820	0.000	1	115.7820	0.000	1	111.8148	6.723	5	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	3:4:2:	2:1:	C[5]-3:O-2:	C[5,6a]-3:C[5]-4:N-2:	N-2:H-1:	N(C[5]C[5,6a]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NO)	O(NC[5])(H)	N(C[5]C[5,6a]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NO){1|C<4>,2|C<3>,2|H<1>}	O(NC[5])(H)	112.6600	0.000	1	112.6600	0.000	1	111.4070	3.140	2	111.8148	6.723	5	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	3:4:2:	2:1:	C[5]-3:O-2:	C[5,6a]-3:C[5]-4:N-2:	N-2:H-1:	N(C[5]C[5,6a]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NO)	O(NC[5])(H)	N(C[5]C[5,6a]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NO){2|C<3>,3|H<1>}	O(NC[5])(H)	110.1540	0.000	1	110.1540	0.000	1	111.4070	3.140	2	111.8148	6.723	5	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	4:2:2:	2:1:	C[5]-3:O-2:	C[5]-4:O[5]-2:N-2:	N-2:H-1:	N(C[5]C[5]O[5])(OH)	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(NO)	O(NC[5])(H)	N(C[5]C[5]O[5])(OH)	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(NO){1|C<4>,3|C<3>}	O(NC[5])(H)	111.2490	0.000	1	111.2490	0.000	1	109.3440	7.258	2	109.5310	3.338	5	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	4:2:2:	2:1:	C[5]-3:O-2:	C[5]-4:O[5]-2:N-2:	N-2:H-1:	N(C[5]C[5]O[5])(OH)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NO)	O(NC[5])(H)	N(C[5]C[5]O[5])(OH)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NO){1|C<4>,3|C<3>}	O(NC[5])(H)	107.4390	0.000	1	107.4390	0.000	1	109.3440	7.258	2	109.5310	3.338	5	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	4:2:2:	2:1:	C[5]-3:O-2:	C[5]-4:S[5]-2:N-2:	N-2:H-1:	N(C[5]C[5]S[5])(OH)	C[5](C[5]C[5,6]C[6a]H)(S[5]C[5])(NO)	O(NC[5])(H)	N(C[5]C[5]S[5])(OH)	C[5](C[5]C[5,6]C[6a]H)(S[5]C[5])(NO){1|C<4>,1|N<2>,3|C<3>}	O(NC[5])(H)	110.6495	0.227	2	110.6495	0.052	2	109.6557	2.989	3	109.5310	3.338	5	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	4:2:2:	2:1:	C[5]-3:O-2:	C[5]-4:S[5]-2:N-2:	N-2:H-1:	N(C[5]C[5]S[5])(OH)	C[5](C[5]C[5,6a]C[6a]H)(S[5]C[5,6a])(NO)	O(NC[5])(H)	N(C[5]C[5]S[5])(OH)	C[5](C[5]C[5,6a]C[6a]H)(S[5]C[5,6a])(NO){1|S<2>,3|C<3>}	O(NC[5])(H)	107.6680	0.000	1	107.6680	0.000	1	109.6557	2.989	3	109.5310	3.338	5	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	4:2:2:	2:4:	C[5]-3:O-2:	C[5]-4:O[5]-2:N-2:	N-2:C-4:	N(C[5]C[5]O[5])(OC)	C[5](C[5]C[5,5]CC)(O[5]C[5,5])(NO)	O(NC[5])(CCHH)	N(C[5]C[5]O[5])(OC)	C[5](C[5]C[5,5]CC)(O[5]C[5,5])(NO){1|C<4>,1|H<1>,2|O<2>}	O(NC[5])(CCHH)	111.3430	0.000	1	111.3430	0.000	1	111.3430	0.000	1	111.3430	0.000	1	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	4:2:2:	4:2:	C[5]-3:O-2:	C[5]-4:O[5]-2:N-2:	C-4:N-2:	N(C[5]C[5]O[5])(OC)	C[5](C[5]O[5]CC)(O[5]C[5])(NO)	O(CC[6a]HH)(NC[5])	N(C[5]C[5]O[5])(OC)	C[5](C[5]O[5]CC)(O[5]C[5])(NO){1|C<3>,1|C<4>}	O(CC[6a]HH)(NC[5])	111.7260	0.000	1	111.7260	0.000	1	111.7260	0.000	1	111.7260	0.000	1	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	4:3:2:	2:1:	C[5]-3:O-2:	C[5]-4:C[5]-3:N-2:	N-2:H-1:	N(C[5]C[5]2)(OH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(NO)	O(NC[5])(H)	N(C[5]C[5]2)(OH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(NO){2|C<3>}	O(NC[5])(H)	111.6890	0.000	1	111.6890	0.000	1	111.0805	1.438	8	110.6809	1.846	10	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	4:3:2:	2:1:	C[5]-3:O-2:	C[5]-4:C[5]-3:N-2:	N-2:H-1:	N(C[5]C[5]2)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NO)	O(NC[5])(H)	N(C[5]C[5]2)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NO){2|C<3>,2|H<1>}	O(NC[5])(H)	110.2830	0.000	1	110.2830	0.000	1	111.0805	1.438	8	110.6809	1.846	10	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	4:3:2:	2:1:	C[5]-3:O-2:	C[5]-4:C[5]-3:N-2:	N-2:H-1:	N(C[5]C[5]2)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(NO)	O(NC[5])(H)	N(C[5]C[5]2)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(NO){4|H<1>}	O(NC[5])(H)	111.8625	0.407	4	111.8625	0.166	4	111.0805	1.438	8	110.6809	1.846	10	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	4:3:2:	2:1:	C[5]-3:O-2:	C[5]-4:C[5]-3:N-2:	N-2:H-1:	N(C[5]C[5]2)(OH)	C[5](C[5]C[5]HH)(C[5]N[5]C)(NO)	O(NC[5])(H)	N(C[5]C[5]2)(OH)	C[5](C[5]C[5]HH)(C[5]N[5]C)(NO){1|S<4>,2|H<1>}	O(NC[5])(H)	109.6110	1.341	2	109.6110	1.797	2	111.0805	1.438	8	110.6809	1.846	10	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	4:3:2:	2:1:	C[5]-3:O-2:	C[5]-4:N[5]-3:N-2:	N-2:H-1:	N(C[5]C[5]N[5])(OH)	C[5](C[5]N[5,6]C[6a]O)(N[5]C[5,6]H)(NO)	O(NC[5])(H)	N(C[5]C[5]N[5])(OH)	C[5](C[5]N[5,6]C[6a]O)(N[5]C[5,6]H)(NO){1|N<2>,3|C<3>}	O(NC[5])(H)	109.3700	0.000	1	109.3700	0.000	1	109.0825	0.165	2	110.6809	1.846	10	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	4:3:2:	2:1:	C[5]-3:O-2:	C[5]-4:N[5]-3:N-2:	N-2:H-1:	N(C[5]C[5]N[5])(OH)	C[5](C[5]N[5]HH)(N[5]C[5]H)(NO)	O(NC[5])(H)	N(C[5]C[5]N[5])(OH)	C[5](C[5]N[5]HH)(N[5]C[5]H)(NO){1|C<3>,2|H<1>}	O(NC[5])(H)	108.7950	0.000	1	108.7950	0.000	1	109.0825	0.165	2	110.6809	1.846	10	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	4:4:2:	2:1:	C[5]-3:O-2:	C[5,6]-4:C[5,6]-4:N-2:	N-2:H-1:	N(C[5]C[5,6]2)(OH)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(NO)	O(NC[5])(H)	N(C[5]C[5,6]2)(OH)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(NO){2|H<1>,6|C<4>}	O(NC[5])(H)	111.3840	0.000	1	111.3840	0.000	1	111.3840	0.000	1	111.8198	1.960	6	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	4:4:2:	2:1:	C[5]-3:O-2:	C[5,6]-4:C[5]-4:N-2:	N-2:H-1:	N(C[5]C[5,6]C[5])(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(NO)	O(NC[5])(H)	N(C[5]C[5,6]C[5])(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(NO){2|C<4>,5|H<1>}	O(NC[5])(H)	112.0110	2.171	3	112.0110	4.715	3	111.9900	3.145	4	111.8198	1.960	6	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	4:4:2:	2:1:	C[5]-3:O-2:	C[5,6]-4:C[5]-4:N-2:	N-2:H-1:	N(C[5]C[5,6]C[5])(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(NO)	O(NC[5])(H)	N(C[5]C[5,6]C[5])(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(NO){3|C<4>,4|H<1>}	O(NC[5])(H)	111.9270	0.000	1	111.9270	0.000	1	111.9900	3.145	4	111.8198	1.960	6	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	4:4:2:	2:1:	C[5]-3:O-2:	C[5]-4:C[5]-4:N-2:	N-2:H-1:	N(C[5]C[5]2)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NO)	O(NC[5])(H)	N(C[5]C[5]2)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NO){2|H<1>,4|C<3>}	O(NC[5])(H)	111.5750	0.000	1	111.5750	0.000	1	111.5750	0.000	1	111.8198	1.960	6	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	4:4:2:	3:2:	C[5]-3:O-2:	C[3,5]-4:C[5]-4:N-2:	C-3:N-2:	N(C[5]C[3,5]C[5])(OC)	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(NO)	O(CC[6a]O)(NC[5])	N(C[5]C[3,5]C[5])(OC)	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(NO){1|C<4>,4|H<1>}	O(CC[6a]O)(NC[5])	108.6770	0.000	1	108.6770	0.000	1	108.6770	0.000	1	108.6770	0.000	1	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	4:4:2:	4:2:	C[5]-3:O-2:	C[5,5]-4:C[5]-4:N-2:	C-4:N-2:	N(C[5]C[5,5]C[5])(OC)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH)(NO)	O(CC[6a]HH)(NC[5])	N(C[5]C[5,5]C[5])(OC)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH)(NO){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O(CC[6a]HH)(NC[5])	110.8313	1.182	3	110.8313	1.398	3	110.7165	0.985	4	110.7165	0.985	4	111.0982	2.639	56	111.1026	2.758	58
941	818	893	0:SP2_SP2_SP2	N	C[5]	O	3:2:	4:4:2:	4:2:	C[5]-3:O-2:	C[5,5]-4:C[5]-4:N-2:	C-4:N-2:	N(C[5]C[5,5]C[5])(OC)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO)	O(CC[6a]HH)(NC[5])	N(C[5]C[5,5]C[5])(OC)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(NO){2|C<4>,2|H<1>,2|O<2>}	O(CC[6a]HH)(NC[5])	110.3720	0.000	1	110.3720	0.000	1	110.7165	0.985	4	110.7165	0.985	4	111.0982	2.639	56	111.1026	2.758	58
941	818	899	0:SP2_SP-NON_SP2	N	C[5]	C	3:1:	3:3:2:	2:	C[5]-3:C-1:	C[5]-3:C[5]-3:N-2:	N-2:	N(C[5]C[5]2)(C)	C[5](C[5]C[5]C)2(NC)	C(NC[5])	N(C[5]C[5]2)(C)	C[5](C[5]C[5]C)2(NC){2|C<3>}	C(NC[5])	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1
941	818	901	0:SP2_SP1_SP2	N	C[5]	N	3:1:	2:2:2:	2:	C[5]-3:N-1:	N[5]-2:N[5]-2:N-2:	N-2:	N(C[5]N[5]2)(N)	C[5](N[5]C[5])(N[5]N[5])(NN)	N(NC[5])	N(C[5]N[5]2)(N)	C[5](N[5]C[5])(N[5]N[5])(NN){1|C<4>}	N(NC[5])	179.0770	0.000	1	179.0770	0.000	1	178.7995	0.154	2	178.7995	0.154	2	178.1056	2.726	16	178.1056	2.726	16
941	818	901	0:SP2_SP1_SP2	N	C[5]	N	3:1:	2:2:2:	2:	C[5]-3:N-1:	N[5]-2:N[5]-2:N-2:	N-2:	N(C[5]N[5]2)(N)	C[5](N[5]C[5])2(NN)	N(NC[5])	N(C[5]N[5]2)(N)	C[5](N[5]C[5])2(NN){2|C<2>}	N(NC[5])	178.5220	0.000	1	178.5220	0.000	1	178.7995	0.154	2	178.7995	0.154	2	178.1056	2.726	16	178.1056	2.726	16
941	818	901	0:SP2_SP1_SP2	N	C[5]	N	3:1:	3:2:2:	2:	C[5]-3:N-1:	C[5]-3:N[5]-2:N-2:	N-2:	N(C[5]C[5]N[5])(N)	C[5](C[5]C[5a]N[5])(N[5]N[5])(NN)	N(NC[5])	N(C[5]C[5]N[5])(N)	C[5](C[5]C[5a]N[5])(N[5]N[5])(NN){2|N<2>}	N(NC[5])	179.8540	0.000	1	179.8540	0.000	1	179.8540	0.000	1	179.8540	0.000	1	178.1056	2.726	16	178.1056	2.726	16
941	818	901	0:SP2_SP1_SP2	N	C[5]	N	3:1:	3:3:2:	2:	C[5]-3:N-1:	C[5,6a]-3:C[5,6]-3:N-2:	N-2:	N(C[5]C[5,6a]C[5,6])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(NN)	N(NC[5])	N(C[5]C[5,6a]C[5,6])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(NN){1|H<1>,2|C<3>,2|N<2>}	N(NC[5])	178.4830	0.000	1	178.4830	0.000	1	178.4830	0.000	1	178.4103	1.103	10	178.1056	2.726	16	178.1056	2.726	16
941	818	901	0:SP2_SP1_SP2	N	C[5]	N	3:1:	3:3:2:	2:	C[5]-3:N-1:	C[5,6a]-3:C[5,6a]-3:N-2:	N-2:	N(C[5]C[5,6a]2)(N)	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	N(NC[5])	N(C[5]C[5,6a]2)(N)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	N(NC[5])	179.4370	0.008	2	179.4370	0.000	2	179.4370	0.000	2	178.4103	1.103	10	178.1056	2.726	16	178.1056	2.726	16
941	818	901	0:SP2_SP1_SP2	N	C[5]	N	3:1:	3:3:2:	2:	C[5]-3:N-1:	C[5,6a]-3:C[5]-3:N-2:	N-2:	N(C[5]C[5,6a]C[5])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN)	N(NC[5])	N(C[5]C[5,6a]C[5])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN){1|H<1>,1|S<4>,4|C<3>}	N(NC[5])	177.7690	0.000	1	177.7690	0.000	1	177.7690	0.000	1	178.4103	1.103	10	178.1056	2.726	16	178.1056	2.726	16
941	818	901	0:SP2_SP1_SP2	N	C[5]	N	3:1:	3:3:2:	2:	C[5]-3:N-1:	C[5]-3:C[5]-3:N-2:	N-2:	N(C[5]C[5]2)(N)	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(NN)	N(NC[5])	N(C[5]C[5]2)(N)	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(NN){5|C<3>}	N(NC[5])	179.2740	0.000	1	179.2740	0.000	1	178.1628	1.407	6	178.4103	1.103	10	178.1056	2.726	16	178.1056	2.726	16
941	818	901	0:SP2_SP1_SP2	N	C[5]	N	3:1:	3:3:2:	2:	C[5]-3:N-1:	C[5]-3:C[5]-3:N-2:	N-2:	N(C[5]C[5]2)(N)	C[5](C[5]N[5]Cl)2(NN)	N(NC[5])	N(C[5]C[5]2)(N)	C[5](C[5]N[5]Cl)2(NN)	N(NC[5])	178.7170	0.000	1	178.7170	0.000	1	178.1628	1.407	6	178.4103	1.103	10	178.1056	2.726	16	178.1056	2.726	16
941	818	901	0:SP2_SP1_SP2	N	C[5]	N	3:1:	3:3:2:	2:	C[5]-3:N-1:	C[5]-3:C[5]-3:N-2:	N-2:	N(C[5]C[5]2)(N)	C[5](C[5]N[5]N)(C[5]N[5]O)(NN)	N(NC[5])	N(C[5]C[5]2)(N)	C[5](C[5]N[5]N)(C[5]N[5]O)(NN){1|C<4>}	N(NC[5])	177.6840	0.000	1	176.9100	1.198	2	178.1628	1.407	6	178.4103	1.103	10	178.1056	2.726	16	178.1056	2.726	16
941	818	901	0:SP2_SP1_SP2	N	C[5]	N	3:1:	3:3:2:	2:	C[5]-3:N-1:	C[5]-3:C[5]-3:N-2:	N-2:	N(C[5]C[5]2)(N)	C[5](C[5]N[5]N)(C[5]N[5]O)(NN)	N(NC[5])	N(C[5]C[5]2)(N)	C[5](C[5]N[5]N)(C[5]N[5]O)(NN){1|H<1>}	N(NC[5])	176.1360	0.000	1	176.9100	1.198	2	178.1628	1.407	6	178.4103	1.103	10	178.1056	2.726	16	178.1056	2.726	16
941	818	901	0:SP2_SP1_SP2	N	C[5]	N	3:1:	3:3:2:	2:	C[5]-3:N-1:	C[5]-3:C[5]-3:N-2:	N-2:	N(C[5]C[5]2)(N)	C[5](C[5]N[5]N)2(NN)	N(NC[5])	N(C[5]C[5]2)(N)	C[5](C[5]N[5]N)2(NN)	N(NC[5])	178.5830	0.895	2	178.5830	0.801	2	178.1628	1.407	6	178.4103	1.103	10	178.1056	2.726	16	178.1056	2.726	16
941	818	901	0:SP2_SP1_SP2	N	C[5]	N	3:1:	4:3:2:	2:	C[5]-3:N-1:	C[5,6]-4:C[5]-3:N-2:	N-2:	N(C[5]C[5,6]C[5])(N)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN)	N(NC[5])	N(C[5]C[5,6]C[5])(N)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N(NC[5])	173.9100	0.000	1	174.6245	1.021	2	174.6245	1.021	2	176.0443	6.558	3	178.1056	2.726	16	178.1056	2.726	16
941	818	901	0:SP2_SP1_SP2	N	C[5]	N	3:1:	4:3:2:	2:	C[5]-3:N-1:	C[5,6]-4:C[5]-3:N-2:	N-2:	N(C[5]C[5,6]C[5])(N)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN)	N(NC[5])	N(C[5]C[5,6]C[5])(N)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(NN){1|C<3>,3|C<4>,3|H<1>}	N(NC[5])	175.3390	0.000	1	174.6245	1.021	2	174.6245	1.021	2	176.0443	6.558	3	178.1056	2.726	16	178.1056	2.726	16
941	818	901	0:SP2_SP1_SP2	N	C[5]	N	3:1:	4:3:2:	2:	C[5]-3:N-1:	C[5]-4:C[5]-3:N-2:	N-2:	N(C[5]C[5]2)(N)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NN)	N(NC[5])	N(C[5]C[5]2)(N)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NN){1|C<3>,2|H<1>}	N(NC[5])	178.8840	0.000	1	178.8840	0.000	1	178.8840	0.000	1	176.0443	6.558	3	178.1056	2.726	16	178.1056	2.726	16
941	818	902	0:SP2_SP2_SP2	N	C[5]	C[3]	3:3:	3:3:2:	3:3:2:	C[3]-3:C[5]-3:	N[5]-3:N[5]-3:N-2:	C[3]-3:C[3]-3:N-2:	N(C[3]C[3]2)(C[5]N[5]2)	C[5](N[5]C[5]C)2(NC[3])	C[3](C[3]C[3]N)2(NC[5])	N(C[3]C[3]2)(C[5]N[5]2)	C[5](N[5]C[5]C)2(NC[3]){4|H<1>}	C[3](C[3]C[3]N)2(NC[5])	125.2040	0.000	1	125.2040	0.000	1	125.2040	0.000	1	125.2040	0.000	1	125.2040	0.000	1	125.2040	0.000	1
941	818	909	0:SP2_SP2_SP2	N	C[5]	S	3:2:	3:3:2:	2:2:	C[5]-3:S-2:	C[5,6a]-3:C[5,6a]-3:N-2:	N-2:N-2:	N(C[5]C[5,6a]2)(SN)	C[5](C[5,6a]C[5,6a]C[6a])2(NS)	S(NC[5])2	N(C[5]C[5,6a]2)(SN)	C[5](C[5,6a]C[5,6a]C[6a])2(NS){2|H<1>,4|C<3>}	S(NC[5])2	120.7520	0.185	2	120.7520	0.034	2	120.7520	0.034	2	120.7520	0.034	2	119.8445	3.632	4	119.8445	3.632	4
941	818	909	0:SP2_SP2_SP2	N	C[5]	S	3:2:	3:3:2:	3:2:	C[5]-3:S-2:	C[5,6a]-3:C[5,6a]-3:N-2:	C[6a]-3:N-2:	N(C[5]C[5,6a]2)(SC[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(NS)	S(C[6a]C[6a]2)(NC[5])	N(C[5]C[5,6a]2)(SC[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(NS){2|H<1>,4|C<3>}	S(C[6a]C[6a]2)(NC[5])	118.9370	2.751	2	118.9370	7.566	2	118.9370	7.566	2	118.9370	7.566	2	119.8445	3.632	4	119.8445	3.632	4
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	2:2:2:	2:3:1:	C[5]-3:C-3:	O[5]-2:S[5]-2:N-2:	N-2:N-3:S-1:	N(C[5]O[5]S[5])(CNS)	C[5](O[5]C[5])(S[5]C[5])(NC)	C(NC[5])(NCH)(S)	N(C[5]O[5]S[5])(CNS)	C[5](O[5]C[5])(S[5]C[5])(NC){2|C<3>}	C(NC[5])(NCH)(S)	119.8420	0.000	1	119.8420	0.000	1	119.8420	0.000	1	119.8420	0.000	1	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	2:2:2:	2:4:1:	C[5]-3:C-3:	N[5]-2:S[5]-2:N-2:	N-2:C-4:O-1:	N(C[5]N[5]S[5])(CCO)	C[5](N[5]N[5])(S[5]C[5])(NC)	C(NC[5])(CH3)(O)	N(C[5]N[5]S[5])(CCO)	C[5](N[5]N[5])(S[5]C[5])(NC){1|Ru<10>,1|S<5>}	C(NC[5])(CH3)(O)	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	2:2:2:	3:2:1:	C[5]-3:C-3:	N[5]-2:S[5]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5]N[5]S[5])(CC[6a]H)	C[5](N[5]N[5])(S[5]C[5])(NC)	C(C[6a]C[6a]2)(NC[5])(H)	N(C[5]N[5]S[5])(CC[6a]H)	C[5](N[5]N[5])(S[5]C[5])(NC){1|H<1>,1|S<1>}	C(C[6a]C[6a]2)(NC[5])(H)	120.2705	1.597	4	120.2705	2.550	4	120.2705	2.550	4	116.5924	12.185	10	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	2:2:2:	3:2:1:	C[5]-3:C-3:	N[5]-2:S[5]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[5]N[5]S[5])(CC[6a]O)	C[5](N[5]C[5,6a])(S[5]N[5,6a])(NC)	C(C[6a]C[6a]2)(NC[5])(O)	N(C[5]N[5]S[5])(CC[6a]O)	C[5](N[5]C[5,6a])(S[5]N[5,6a])(NC){2|C<3>}	C(C[6a]C[6a]2)(NC[5])(O)	112.8520	0.468	3	112.8520	0.219	3	112.8520	0.219	3	116.5924	12.185	10	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	2:2:2:	3:2:1:	C[5]-3:C-3:	O[5]-2:S[5]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[5]O[5]S[5])(CC[6a]O)	C[5](O[5]C[5])(S[5]C[5])(NC)	C(C[6a]C[6a]2)(NC[5])(O)	N(C[5]O[5]S[5])(CC[6a]O)	C[5](O[5]C[5])(S[5]C[5])(NC){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(NC[5])(O)	115.0890	0.000	1	115.0890	0.000	1	115.0890	0.000	1	116.5924	12.185	10	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	2:2:2:	3:2:1:	C[5]-3:C-3:	Se[5]-2:N[5]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[5]Se[5]N[5])(CC[6a]O)	C[5](Se[5]Se[5])(N[5]C[5])(NC)	C(C[6a]C[6a]2)(NC[5])(O)	N(C[5]Se[5]N[5])(CC[6a]O)	C[5](Se[5]Se[5])(N[5]C[5])(NC){1|N<3>}	C(C[6a]C[6a]2)(NC[5])(O)	114.8070	0.000	1	114.8070	0.000	1	114.8070	0.000	1	116.5924	12.185	10	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	2:2:2:	3:2:1:	C[5]-3:C-3:	Se[5]-2:Se[5]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[5]Se[5]2)(CC[6a]O)	C[5](Se[5]C[5])2(NC)	C(C[6a]C[6a]2)(NC[5])(O)	N(C[5]Se[5]2)(CC[6a]O)	C[5](Se[5]C[5])2(NC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[5])(O)	116.3900	0.000	1	116.3900	0.000	1	116.3900	0.000	1	116.5924	12.185	10	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	2:4:1:	C[5]-3:C-3:	C[5]-3:O[5]-2:N-2:	N-2:C-4:O-1:	N(C[5]C[5]O[5])(CCO)	C[5](C[5]N[5,6a]C)(O[5]C[5,6a])(NC)	C(NC[5])(CF3)(O)	N(C[5]C[5]O[5])(CCO)	C[5](C[5]N[5,6a]C)(O[5]C[5,6a])(NC){2|C<3>}	C(NC[5])(CF3)(O)	120.8710	0.000	1	120.8710	0.000	1	120.8710	0.000	1	118.3462	4.489	5	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	2:4:1:	C[5]-3:C-3:	N[5]-3:N[5]-2:N-2:	N-2:C-4:O-1:	N(C[5]N[5]2)(CCO)	C[5](N[5]C[5]C)(N[5]N[5])(NC)	C(NC[5])(CH3)(O)	N(C[5]N[5]2)(CCO)	C[5](N[5]C[5]C)(N[5]N[5])(NC){1|C<3>,1|N<3>}	C(NC[5])(CH3)(O)	120.3230	0.000	1	120.3230	0.000	1	120.3230	0.000	1	118.3462	4.489	5	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	2:4:1:	C[5]-3:C-3:	N[5]-3:S[5]-2:N-2:	N-2:C-4:O-1:	N(C[5]N[5]S[5])(CCO)	C[5](N[5]C[5]C)(S[5]C[5])(NC)	C(NC[5])(CC3)(O)	N(C[5]N[5]S[5])(CCO)	C[5](N[5]C[5]C)(S[5]C[5])(NC){1|Br<1>,1|H<1>}	C(NC[5])(CC3)(O)	117.2360	0.052	2	117.2360	0.003	2	116.8457	0.458	3	118.3462	4.489	5	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	2:4:1:	C[5]-3:C-3:	N[5]-3:S[5]-2:N-2:	N-2:C-4:O-1:	N(C[5]N[5]S[5])(CCO)	C[5](N[5]C[5]C)(S[5]C[5])(NC)	C(NC[5])(CH3)(O)	N(C[5]N[5]S[5])(CCO)	C[5](N[5]C[5]C)(S[5]C[5])(NC){1|C<3>,1|C<4>}	C(NC[5])(CH3)(O)	116.0650	0.000	1	116.0650	0.000	1	116.8457	0.458	3	118.3462	4.489	5	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	2:4:2:	C[5]-3:C-3:	N[5]-3:O[5]-2:N-2:	N-2:C-4:O-2:	N(C[5]N[5]O[5])(CCO)	C[5](N[5]N[5]Mn)(O[5]C[5])(NC)	C(NC[5])(CCHH)(OMn)	N(C[5]N[5]O[5])(CCO)	C[5](N[5]N[5]Mn)(O[5]C[5])(NC){1|Mn<6>,1|C<3>}	C(NC[5])(CCHH)(OMn)	117.7033	0.339	3	117.7033	0.115	3	117.7033	0.115	3	117.7033	0.115	3	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	3:2:1:	C[5]-3:C-3:	C[5]-3:O[5]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[5]C[5]O[5])(CC[6a]O)	C[5](C[5]N[5]S)(O[5]N[5])(NC)	C(C[6a]C[6a]2)(NC[5])(O)	N(C[5]C[5]O[5])(CC[6a]O)	C[5](C[5]N[5]S)(O[5]N[5])(NC){1|C<4>}	C(C[6a]C[6a]2)(NC[5])(O)	121.0405	0.298	4	121.0405	0.089	4	121.0405	0.089	4	118.5206	20.177	32	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	3:2:1:	C[5]-3:C-3:	C[5]-3:S[5]-2:N-2:	C-3:N-2:Cl-1:	N(C[5]C[5]S[5])(CClC)	C[5](C[5]N[5]Cl)(S[5]S[5])(NC)	C(CC[5a]S)(NC[5])(Cl)	N(C[5]C[5]S[5])(CClC)	C[5](C[5]N[5]Cl)(S[5]S[5])(NC)	C(CC[5a]S)(NC[5])(Cl)	129.6875	0.903	2	129.6875	0.815	2	129.6875	0.815	2	118.5206	20.177	32	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	3:2:1:	C[5]-3:C-3:	N[5]-3:O[5]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[5]N[5]O[5])(CC[6a]O)	C[5](N[5]C[5]H)(O[5]C[5])(NC)	C(C[6a]C[6a]2)(NC[5])(O)	N(C[5]N[5]O[5])(CC[6a]O)	C[5](N[5]C[5]H)(O[5]C[5])(NC){4|H<1>}	C(C[6a]C[6a]2)(NC[5])(O)	118.2160	1.165	2	118.2160	1.358	2	118.2160	1.358	2	118.5206	20.177	32	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	3:2:1:	C[5]-3:C-3:	N[5]-3:S[5]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[5]N[5]S[5])(CC[6a]O)	C[5](N[5]C[5,6]Cu)(S[5]N[5,6])(NC)	C(C[6a]C[6a]2)(NC[5])(O)	N(C[5]N[5]S[5])(CC[6a]O)	C[5](N[5]C[5,6]Cu)(S[5]N[5,6])(NC){2|C<3>}	C(C[6a]C[6a]2)(NC[5])(O)	111.6403	0.843	3	111.6403	0.711	3	115.5956	5.609	13	118.5206	20.177	32	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	3:2:1:	C[5]-3:C-3:	N[5]-3:S[5]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[5]N[5]S[5])(CC[6a]O)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NC)	C(C[6a]C[6a]2)(NC[5])(O)	N(C[5]N[5]S[5])(CC[6a]O)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NC){2|C<3>}	C(C[6a]C[6a]2)(NC[5])(O)	117.4660	0.000	1	117.4660	0.000	1	115.5956	5.609	13	118.5206	20.177	32	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	3:2:1:	C[5]-3:C-3:	N[5]-3:S[5]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[5]N[5]S[5])(CC[6a]O)	C[5](N[5]C[5]C)(S[5]C[5])(NC)	C(C[6a]C[6a]2)(NC[5])(O)	N(C[5]N[5]S[5])(CC[6a]O)	C[5](N[5]C[5]C)(S[5]C[5])(NC){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(NC[5])(O)	117.8840	0.000	1	117.4333	0.463	3	115.5956	5.609	13	118.5206	20.177	32	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	3:2:1:	C[5]-3:C-3:	N[5]-3:S[5]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[5]N[5]S[5])(CC[6a]O)	C[5](N[5]C[5]C)(S[5]C[5])(NC)	C(C[6a]C[6a]2)(NC[5])(O)	N(C[5]N[5]S[5])(CC[6a]O)	C[5](N[5]C[5]C)(S[5]C[5])(NC){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(NC[5])(O)	117.2080	0.788	2	117.4333	0.463	3	115.5956	5.609	13	118.5206	20.177	32	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	3:2:1:	C[5]-3:C-3:	N[5]-3:S[5]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[5]N[5]S[5])(CC[6a]O)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC)	C(C[6a]C[6a]2)(NC[5])(O)	N(C[5]N[5]S[5])(CC[6a]O)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[5])(O)	116.0643	0.069	4	116.3427	0.209	6	115.5956	5.609	13	118.5206	20.177	32	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	3:2:1:	C[5]-3:C-3:	N[5]-3:S[5]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[5]N[5]S[5])(CC[6a]O)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC)	C(C[6a]C[6a]2)(NC[5])(O)	N(C[5]N[5]S[5])(CC[6a]O)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[5])(O)	116.8995	0.313	2	116.3427	0.209	6	115.5956	5.609	13	118.5206	20.177	32	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	3:2:1:	C[5]-3:C-3:	N[5]-3:S[5]-2:N-2:	N-3:N-2:S-1:	N(C[5]N[5]S[5])(CNS)	C[5](N[5]C[5]H)(S[5]C[5])(NC)	C(NC[6a]H)(NC[5])(S)	N(C[5]N[5]S[5])(CNS)	C[5](N[5]C[5]H)(S[5]C[5])(NC){1|C<4>,1|H<1>}	C(NC[6a]H)(NC[5])(S)	123.0284	2.281	5	123.0284	5.203	5	123.0284	5.203	5	118.5206	20.177	32	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	3:2:1:	C[5]-3:C-3:	N[5]-3:Se[5]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[5]Se[5]N[5])(CC[6a]O)	C[5](N[5]C[6a]C[5])(Se[5]C[5])(NC)	C(C[6a]C[6a]2)(NC[5])(O)	N(C[5]Se[5]N[5])(CC[6a]O)	C[5](N[5]C[6a]C[5])(Se[5]C[5])(NC){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[5])(O)	115.8010	0.740	6	115.8010	0.548	6	115.8010	0.548	6	118.5206	20.177	32	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	3:2:2:	C[5]-3:C-3:	N[5]-3:O[5]-2:N-2:	C[6a]-3:N-2:O-2:	N(C[5]N[5]O[5])(CC[6a]O)	C[5](N[5]C[5]Cu)(O[5]C[5])(NC)	C(C[6a]C[6a]2)(NC[5])(OCu)	N(C[5]N[5]O[5])(CC[6a]O)	C[5](N[5]C[5]Cu)(O[5]C[5])(NC){4|H<1>}	C(C[6a]C[6a]2)(NC[5])(OCu)	119.4410	0.000	1	119.4410	0.000	1	118.2228	0.768	4	119.8911	4.756	7	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	3:2:2:	C[5]-3:C-3:	N[5]-3:O[5]-2:N-2:	C[6a]-3:N-2:O-2:	N(C[5]N[5]O[5])(CC[6a]O)	C[5](N[5]N[5]Mn)(O[5]C[5])(NC)	C(C[6a]C[6a]2)(NC[5])(OMn)	N(C[5]N[5]O[5])(CC[6a]O)	C[5](N[5]N[5]Mn)(O[5]C[5])(NC){1|Mn<6>,1|C<3>}	C(C[6a]C[6a]2)(NC[5])(OMn)	117.8167	0.404	3	117.8167	0.163	3	118.2228	0.768	4	119.8911	4.756	7	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	3:2:2:	C[5]-3:C-3:	N[5]-3:S[5]-2:N-2:	C[6a]-3:N-2:O-2:	N(C[5]N[5]S[5])(CC[6a]O)	C[5](N[5]C[5]Re)(S[5]C[5])(NC)	C(C[6a]C[6a]2)(NC[5])(ORe)	N(C[5]N[5]S[5])(CC[6a]O)	C[5](N[5]C[5]Re)(S[5]C[5])(NC){2|H<1>}	C(C[6a]C[6a]2)(NC[5])(ORe)	122.1157	0.356	3	122.1157	0.127	3	122.1157	0.127	3	119.8911	4.756	7	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	3:2:3:	C[5]-3:C-3:	C[5,6a]-3:N[5]-2:N-2:	C[6]-3:N-2:N-3:	N(C[5]C[5,6a]N[5])(CC[6]N)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]S[5])(NC)	C(C[6]C[6]N[6])(NC[5])(NHH)	N(C[5]C[5,6a]N[5])(CC[6]N)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]S[5])(NC){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[5])(NHH)	121.3710	0.000	1	121.3710	0.000	1	121.3710	0.000	1	121.3710	0.000	1	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:2:2:	3:3:2:	C[5]-3:C-3:	C[5]-3:N[5]-2:N-2:	C[5a]-3:C[6a]-3:N-2:	N(C[5]C[5]N[5])(CC[5a]C[6a])	C[5](C[5]C[5]H)(N[5]C[5])(NC)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[5])	N(C[5]C[5]N[5])(CC[5a]C[6a])	C[5](C[5]C[5]H)(N[5]C[5])(NC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[5])	138.1410	0.000	1	138.1410	0.000	1	138.1410	0.000	1	138.1410	0.000	1	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	2:2:1:	C[5]-3:C-3:	C[5,6a]-3:C[5]-3:N-2:	N-2:O-2:O-1:	N(C[5]C[5,6a]C[5])(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC)	C(NC[5])(OC)(O)	N(C[5]C[5,6a]C[5])(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC){1|C<4>,1|H<1>,2|C<3>}	C(NC[5])(OC)(O)	121.8080	0.000	1	121.8080	0.000	1	121.8080	0.000	1	121.5830	11.690	3	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	2:2:1:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	N-2:O-2:O-1:	N(C[5]N[5]2)(COO)	C[5](N[5]C[5,5]C)2(NC)	C(NC[5])(OC)(O)	N(C[5]N[5]2)(COO)	C[5](N[5]C[5,5]C)2(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[5])(OC)(O)	124.8840	0.000	1	124.8840	0.000	1	121.4705	23.304	2	121.5830	11.690	3	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	2:2:1:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	N-2:O-2:O-1:	N(C[5]N[5]2)(COO)	C[5](N[5]C[5]H)2(NC)	C(NC[5])(OC)(O)	N(C[5]N[5]2)(COO)	C[5](N[5]C[5]H)2(NC){1|C<4>,3|H<1>}	C(NC[5])(OC)(O)	118.0570	0.000	1	118.0570	0.000	1	121.4705	23.304	2	121.5830	11.690	3	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	2:2:3:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	N-2:N-2:N-3:	N(C[5]N[5]2)(CNN)	C[5](N[5]C[5]C)2(NC)	C(NC[5])2(NCC)	N(C[5]N[5]2)(CNN)	C[5](N[5]C[5]C)2(NC){2|C<4>}	C(NC[5])2(NCC)	121.6235	4.923	4	121.6235	24.232	4	121.6235	24.232	4	121.6235	24.232	4	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	2:3:2:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	N-2:N-3:N-2:	N(C[5]N[5]2)(CNN)	C[5](N[5]C[5]Cu)(N[5]C[5]H)(NC)	C(NC[5])(NCC)(NCu)	N(C[5]N[5]2)(CNN)	C[5](N[5]C[5]Cu)(N[5]C[5]H)(NC){1|O<1>,2|C<3>}	C(NC[5])(NCC)(NCu)	121.0270	0.000	1	121.0270	0.000	1	121.0270	0.000	1	120.0523	0.731	3	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	2:3:2:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	N-2:N-3:O-2:	N(C[5]N[5]2)(CNO)	C[5](N[5]C[5]Cu)(N[5]C[5]H)(NC)	C(NC[5])(NCuH)(OC)	N(C[5]N[5]2)(CNO)	C[5](N[5]C[5]Cu)(N[5]C[5]H)(NC){1|O<1>,2|C<3>}	C(NC[5])(NCuH)(OC)	119.5650	0.191	2	119.5650	0.036	2	119.5650	0.036	2	120.0523	0.731	3	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	2:3:3:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	N-2:N-3:N-3:	N(C[5]N[5]2)(CNN)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(NC)	C(NC[5])(NCoH)(NHH)	N(C[5]N[5]2)(CNN)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(NC){2|C<3>}	C(NC[5])(NCoH)(NHH)	121.0490	0.000	1	121.0490	0.000	1	120.4515	0.714	2	120.4515	0.714	2	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	2:3:3:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	N-2:N-3:N-3:	N(C[5]N[5]2)(CNN)	C[5](N[5]C[5]Ni)(N[5]C[5]H)(NC)	C(NC[5])(NNiH)(NCC)	N(C[5]N[5]2)(CNN)	C[5](N[5]C[5]Ni)(N[5]C[5]H)(NC){1|O<1>,2|C<3>}	C(NC[5])(NNiH)(NCC)	119.8540	0.000	1	119.8540	0.000	1	120.4515	0.714	2	120.4515	0.714	2	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	2:3:4:	C[5]-3:C-3:	C[5,6a]-3:N[5]-3:N-2:	N-2:N-3:C-4:	N(C[5]C[5,6a]N[5])(CCN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(NC)	C(NC[5])(NCuH)(CH3)	N(C[5]C[5,6a]N[5])(CCN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(NC){1|H<1>,1|O<1>,2|C<3>}	C(NC[5])(NCuH)(CH3)	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	2:4:1:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	N-2:C-4:O-1:	N(C[5]N[5]2)(CCO)	C[5](N[5]C[5]C)(N[5]C[5]H)(NC)	C(NC[5])(CH3)(O)	N(C[5]N[5]2)(CCO)	C[5](N[5]C[5]C)(N[5]C[5]H)(NC){1|O<1>,2|H<1>}	C(NC[5])(CH3)(O)	119.4830	0.000	1	119.4830	0.000	1	119.4830	0.000	1	119.4830	0.000	1	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	2:4:2:	C[5]-3:C-3:	N[5,6]-3:C[5]-3:N-2:	N-2:C-4:O-2:	N(C[5]N[5,6]C[5])(CCO)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(NC)	C(NC[5])(CH3)(OC)	N(C[5]N[5,6]C[5])(CCO)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(NC){1|H<1>,1|N<2>,2|C<3>}	C(NC[5])(CH3)(OC)	120.9690	0.000	1	120.9690	0.000	1	120.9690	0.000	1	120.9690	0.000	1	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	2:4:3:	C[5]-3:C-3:	C[5,6a]-3:N[5]-3:N-2:	N-2:C-4:N-3:	N(C[5]C[5,6a]N[5])(CCN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NC)	C(NC[5])(CCHH)(NNiH)	N(C[5]C[5,6a]N[5])(CCN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NC){1|F<1>,1|O<1>,2|C<3>}	C(NC[5])(CCHH)(NNiH)	118.8790	0.000	1	118.8790	0.000	1	118.8790	0.000	1	120.6546	1.144	5	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	2:4:3:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	N-2:C-4:N-3:	N(C[5]N[5]2)(CCN)	C[5](N[5]C[5]Cu)(N[5]C[5]H)(NC)	C(NC[5])(CCHH)(NCuH)	N(C[5]N[5]2)(CCN)	C[5](N[5]C[5]Cu)(N[5]C[5]H)(NC){1|O<1>,2|C<3>}	C(NC[5])(CCHH)(NCuH)	121.0985	0.460	4	121.0985	0.211	4	121.0985	0.211	4	120.6546	1.144	5	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	3:2:1:	C[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6]-3:N-2:H-1:	N(C[5]C[5]2)(CC[6]H)	C[5](C[5]N[5]C)(C[5]N[5]O)(NC)	C(C[6]C[6]2)(NC[5])(H)	N(C[5]C[5]2)(CC[6]H)	C[5](C[5]N[5]C)(C[5]N[5]O)(NC){1|C<3>,1|C<4>}	C(C[6]C[6]2)(NC[5])(H)	121.9770	0.000	1	121.9770	0.000	1	121.9770	0.000	1	118.3415	4.403	15	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	3:2:1:	C[5]-3:C-3:	C[5]-3:N[5]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[5]C[5]N[5])(CC[6a]O)	C[5](C[5]N[5]H)(N[5]N[5]C)(NC)	C(C[6a]C[6a]2)(NC[5])(O)	N(C[5]C[5]N[5])(CC[6a]O)	C[5](C[5]N[5]H)(N[5]N[5]C)(NC){1|C<3>}	C(C[6a]C[6a]2)(NC[5])(O)	115.6180	0.000	1	115.6180	0.000	1	115.6180	0.000	1	118.3415	4.403	15	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	3:2:1:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	C[5a]-3:N-2:O-1:	N(C[5]N[5]2)(CC[5a]O)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NC)	C(C[5a]C[5a]N[5a])(NC[5])(O)	N(C[5]N[5]2)(CC[5a]O)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NC){2|C<3>}	C(C[5a]C[5a]N[5a])(NC[5])(O)	117.2340	0.000	1	117.2340	0.000	1	117.2340	0.000	1	118.3415	4.403	15	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	3:2:1:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[5]N[5]2)(CC[6a]O)	C[5](N[5]C[5,5]H)(N[5]C[5]C)(NC)	C(C[6a]C[6a]2)(NC[5])(O)	N(C[5]N[5]2)(CC[6a]O)	C[5](N[5]C[5,5]H)(N[5]C[5]C)(NC){1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(NC[5])(O)	117.3600	0.000	1	117.3600	0.000	1	117.5865	0.103	2	118.3415	4.403	15	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	3:2:1:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[5]N[5]2)(CC[6a]O)	C[5](N[5]C[5]C)(N[5]C[5]H)(NC)	C(C[6a]C[6a]2)(NC[5])(O)	N(C[5]N[5]2)(CC[6a]O)	C[5](N[5]C[5]C)(N[5]C[5]H)(NC){4|H<1>}	C(C[6a]C[6a]2)(NC[5])(O)	117.8130	0.000	1	117.8130	0.000	1	117.5865	0.103	2	118.3415	4.403	15	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	3:2:1:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:N-2:S-1:	N(C[5]N[5]2)(CC[6a]S)	C[5](N[5]C[5,6a]H)2(NC)	C(C[6a]C[6a]2)(NC[5])(S)	N(C[5]N[5]2)(CC[6a]S)	C[5](N[5]C[5,6a]H)2(NC){2|C<3>}	C(C[6a]C[6a]2)(NC[5])(S)	122.6910	0.000	1	122.6910	0.000	1	122.6910	0.000	1	118.3415	4.403	15	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	3:2:1:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	N-3:N-2:O-1:	N(C[5]N[5]2)(CNO)	C[5](N[5]C[5]C)(N[5]C[5]H)(NC)	C(NC[6]H)(NC[5])(O)	N(C[5]N[5]2)(CNO)	C[5](N[5]C[5]C)(N[5]C[5]H)(NC){1|O<1>,2|H<1>}	C(NC[6]H)(NC[5])(O)	119.1660	0.000	1	119.1660	0.000	1	118.0477	2.355	9	118.3415	4.403	15	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	3:2:1:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	N-3:N-2:O-1:	N(C[5]N[5]2)(CNO)	C[5](N[5]C[5]C)(N[5]C[5]H)(NC)	C(NC[6a]H)(NC[5])(O)	N(C[5]N[5]2)(CNO)	C[5](N[5]C[5]C)(N[5]C[5]H)(NC){1|O<1>,2|H<1>}	C(NC[6a]H)(NC[5])(O)	118.6260	0.522	5	118.6260	0.273	5	118.0477	2.355	9	118.3415	4.403	15	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	3:2:1:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	N-3:N-2:O-1:	N(C[5]N[5]2)(CNO)	C[5](N[5]C[5]C)2(NC)	C(NC[6a]H)(NC[5])(O)	N(C[5]N[5]2)(CNO)	C[5](N[5]C[5]C)2(NC){2|H<1>}	C(NC[6a]H)(NC[5])(O)	116.0985	2.686	2	116.0985	7.216	2	118.0477	2.355	9	118.3415	4.403	15	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	3:2:1:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	N-3:N-2:O-1:	N(C[5]N[5]2)(CNO)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(NC)	C(NC[6a]H)(NC[5])(O)	N(C[5]N[5]2)(CNO)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(NC){2|C<3>,4|H<1>}	C(NC[6a]H)(NC[5])(O)	117.9360	0.000	1	117.9360	0.000	1	118.0477	2.355	9	118.3415	4.403	15	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	3:2:2:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:N-2:O-2:	N(C[5]N[5]2)(CC[6a]O)	C[5](N[5]C[6a]C[5])(N[5]C[5]Ni)(NC)	C(C[6a]C[6a]2)(NC[5])(ONi)	N(C[5]N[5]2)(CC[6a]O)	C[5](N[5]C[6a]C[5])(N[5]C[5]Ni)(NC){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[5])(ONi)	120.4435	1.358	2	120.4435	1.845	2	120.4435	1.845	2	119.2740	5.026	3	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	3:2:2:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	N-3:N-2:O-2:	N(C[5]N[5]2)(CNO)	C[5](N[5]C[5]C)2(NC)	C(NC[6a]H)(NC[5])(OLi)	N(C[5]N[5]2)(CNO)	C[5](N[5]C[5]C)2(NC){2|H<1>}	C(NC[6a]H)(NC[5])(OLi)	116.9350	0.000	1	116.9350	0.000	1	116.9350	0.000	1	119.2740	5.026	3	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	3:2:4:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	N-3:N-2:C-4:	N(C[5]N[5]2)(CCN)	C[5](N[5]C[6a]C[5])2(NC)	C(NC[6a]H)(NC[5])(CH3)	N(C[5]N[5]2)(CCN)	C[5](N[5]C[6a]C[5])2(NC){2|H<1>,4|C<3>}	C(NC[6a]H)(NC[5])(CH3)	122.7080	0.000	1	122.7080	0.000	1	122.7080	0.000	1	122.7080	0.000	1	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	3:3:2:	4:2:2:	C[5]-3:C-3:	N[5]-3:N[5]-3:N-2:	C[3x6]-4:N-2:O-2:	N(C[5]N[5]2)(CC[3x6]O)	C[5](N[5]C[6a]C[5])(N[5]C[5]Ni)(NC)	C(C[3x6]C[6,6]3)(NC[5])(ONi)	N(C[5]N[5]2)(CC[3x6]O)	C[5](N[5]C[6a]C[5])(N[5]C[5]Ni)(NC){1|H<1>,3|C<3>}	C(C[3x6]C[6,6]3)(NC[5])(ONi)	120.1920	0.284	2	120.1920	0.081	2	120.1920	0.081	2	120.1920	0.081	2	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	4:3:2:	2:2:1:	C[5]-3:C-3:	C[5]-4:N[5]-3:N-2:	N-2:O-2:O-1:	N(C[5]C[5]N[5])(COO)	C[5](C[5]C[6a]C[5]N)(N[5]C[5]C)(NC)	C(NC[5])(OC)(O)	N(C[5]C[5]N[5])(COO)	C[5](C[5]C[6a]C[5]N)(N[5]C[5]C)(NC){2|C<3>,4|H<1>}	C(NC[5])(OC)(O)	121.7970	0.000	1	121.7970	0.000	1	121.7970	0.000	1	121.7970	0.000	1	119.2377	15.021	105	119.2377	15.021	105
941	818	930	0:SP2_SP2_SP2	N	C[5]	C	3:3:	4:3:2:	3:2:1:	C[5]-3:C-3:	C[5]-4:C[5]-3:N-2:	N-3:N-2:O-1:	N(C[5]C[5]2)(CNO)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]Si)(NC)	C(NC[6a]H)(NC[5])(O)	N(C[5]C[5]2)(CNO)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]Si)(NC){1|H<1>,2|C<4>}	C(NC[6a]H)(NC[5])(O)	123.6500	1.956	2	123.6500	3.825	2	123.6500	3.825	2	123.6500	3.825	2	119.2377	15.021	105	119.2377	15.021	105
941	818	941	0:SP2_SP2_SP2	N	C[5,6]	N	3:2:	4:4:2:	3:2:	C[5,6]-3:N-2:	C[5,5,6]-4:C[5,6]-4:N-2:	C[5]-3:N-2:	N(C[5,6]C[5,5,6]C[5,6])(NC[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NN)	N(C[5]N[5]S[5])(NC[5,6])	N(C[5,6]C[5,5,6]C[5,6])(NC[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NN){3|C<4>,3|H<1>}	N(C[5]N[5]S[5])(NC[5,6])	113.2080	0.000	1	113.2080	0.000	1	113.2080	0.000	1	112.4967	1.008	3	112.4967	1.008	3	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5,6]	N	3:2:	4:4:2:	3:2:	C[5,6]-3:N-2:	C[5,5,6]-4:C[5,6]-4:N-2:	C[5a]-3:N-2:	N(C[5,6]C[5,5,6]C[5,6])(NC[5a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NN)	N(C[5a]N[5a]S[5a])(NC[5,6])	N(C[5,6]C[5,5,6]C[5,6])(NC[5a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NN){3|C<4>,3|H<1>}	N(C[5a]N[5a]S[5a])(NC[5,6])	112.1410	1.121	2	112.1410	1.258	2	112.1410	1.258	2	112.4967	1.008	3	112.4967	1.008	3	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	2:2:2:	2:1:	C[5]-3:N-2:	N[5]-2:N[5]-2:N-2:	N-2:N-1:	N(C[5]N[5]2)(NN)	C[5](N[5]N[5])2(NN)	N(NC[5])(N)	N(C[5]N[5]2)(NN)	C[5](N[5]N[5])2(NN)	N(NC[5])(N)	113.9403	0.968	6	113.9403	0.938	6	113.9403	0.938	6	113.9403	0.938	6	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	2:2:2:	2:3:	C[5]-3:N-2:	S[5]-2:S[5]-2:N-2:	N-2:C-3:	N(C[5]S[5]2)(NC)	C[5](S[5]C[5])2(NN)	N(NC[5])(CCC)	N(C[5]S[5]2)(NC)	C[5](S[5]C[5])2(NN){4|H<1>}	N(NC[5])(CCC)	110.1290	0.000	1	110.1290	0.000	1	110.1290	0.000	1	110.1290	0.000	1	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	2:2:2:	3:2:	C[5]-3:N-2:	N[5]-2:N[5]-2:N-2:	C[5]-3:N-2:	N(C[5]N[5]2)(NC[5])	C[5](N[5]C[5])(N[5]N[5])(NN)	N(C[5]N[5]2)(NC[5])	N(C[5]N[5]2)(NC[5])	C[5](N[5]C[5])(N[5]N[5])(NN){1|H<1>}	N(C[5]N[5]2)(NC[5])	111.3877	1.508	3	111.3877	2.273	3	112.7851	0.704	27	112.5347	0.970	33	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	2:2:2:	3:2:	C[5]-3:N-2:	N[5]-2:N[5]-2:N-2:	C[5]-3:N-2:	N(C[5]N[5]2)(NC[5])	C[5](N[5]N[5])2(NN)	N(C[5]N[5]2)(NC[5])	N(C[5]N[5]2)(NC[5])	C[5](N[5]N[5])2(NN)	N(C[5]N[5]2)(NC[5])	112.9598	0.558	24	112.9598	0.312	24	112.7851	0.704	27	112.5347	0.970	33	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	2:2:2:	3:2:	C[5]-3:N-2:	N[5]-2:N[5]-2:N-2:	C[6a]-3:N-2:	N(C[5]N[5]2)(NC[6a])	C[5](N[5]N[5])2(NN)	N(C[6a]C[6a]2)(NC[5])	N(C[5]N[5]2)(NC[6a])	C[5](N[5]N[5])2(NN)	N(C[6a]C[6a]2)(NC[5])	112.1380	0.805	2	112.1380	0.648	2	112.1380	0.648	2	112.5347	0.970	33	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	2:2:2:	3:2:	C[5]-3:N-2:	S[5]-2:S[5]-2:N-2:	C-3:N-2:	N(C[5]S[5]2)(NC)	C[5](S[5]C[5])2(NN)	N(CC[6a]O)(NC[5])	N(C[5]S[5]2)(NC)	C[5](S[5]C[5])2(NN){4|H<1>}	N(CC[6a]O)(NC[5])	110.7570	0.911	2	110.7570	0.829	2	110.7570	0.829	2	112.5347	0.970	33	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	2:2:2:	3:2:	C[5]-3:N-2:	S[5]-2:S[5]-2:N-2:	C[5]-3:N-2:	N(C[5]S[5]2)(NC[5])	C[5](S[5]C[5])2(NN)	N(C[5]S[5]2)(NC[5])	N(C[5]S[5]2)(NC[5])	C[5](S[5]C[5])2(NN){2|H<1>}	N(C[5]S[5]2)(NC[5])	111.4100	0.000	1	111.3290	0.013	2	111.3290	0.013	2	112.5347	0.970	33	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	2:2:2:	3:2:	C[5]-3:N-2:	S[5]-2:S[5]-2:N-2:	C[5]-3:N-2:	N(C[5]S[5]2)(NC[5])	C[5](S[5]C[5])2(NN)	N(C[5]S[5]2)(NC[5])	N(C[5]S[5]2)(NC[5])	C[5](S[5]C[5])2(NN){4|H<1>}	N(C[5]S[5]2)(NC[5])	111.2480	0.000	1	111.3290	0.013	2	111.3290	0.013	2	112.5347	0.970	33	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	2:1:	C[5]-3:N-2:	C[5]-3:N[5]-2:N-2:	N-2:N-1:	N(C[5]C[5]N[5])(NN)	C[5](C[5]N[5]N)(N[5]N[5])(NN)	N(NC[5])(N)	N(C[5]C[5]N[5])(NN)	C[5](C[5]N[5]N)(N[5]N[5])(NN)	N(NC[5])(N)	113.1120	0.000	1	113.1120	0.000	1	113.1120	0.000	1	112.8200	0.840	3	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	2:1:	C[5]-3:N-2:	N[5]-3:N[5]-2:N-2:	N-2:N-1:	N(C[5]N[5]2)(NN)	C[5](N[5]C[5]H)(N[5]N[5])(NN)	N(NC[5])(N)	N(C[5]N[5]2)(NN)	C[5](N[5]C[5]H)(N[5]N[5])(NN){1|C<4>,1|N<2>}	N(NC[5])(N)	113.5550	0.000	1	113.5550	0.000	1	112.6740	1.552	2	112.8200	0.840	3	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	2:1:	C[5]-3:N-2:	N[5]-3:N[5]-2:N-2:	N-2:N-1:	N(C[5]N[5]2)(NN)	C[5](N[5]N[5]Ca)(N[5]N[5])(NN)	N(NC[5])(N)	N(C[5]N[5]2)(NN)	C[5](N[5]N[5]Ca)(N[5]N[5])(NN){1|Ca<8>}	N(NC[5])(N)	111.7930	0.000	1	111.7930	0.000	1	112.6740	1.552	2	112.8200	0.840	3	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	2:3:	C[5]-3:N-2:	N[5]-3:S[5]-2:N-2:	N-2:C-3:	N(C[5]N[5]S[5])(NC)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NN)	N(NC[5])(CCC)	N(C[5]N[5]S[5])(NC)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NN){1|O<1>,2|C<3>,2|H<1>}	N(NC[5])(CCC)	107.6470	0.000	1	107.6470	0.000	1	107.6470	0.000	1	107.6470	0.000	1	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	3:2:	C[5]-3:N-2:	C[5,6a]-3:S[5]-2:N-2:	C-3:N-2:	N(C[5]C[5,6a]S[5])(NC)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(NN)	N(CC[5a]H)(NC[5])	N(C[5]C[5,6a]S[5])(NC)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(NN){1|H<1>,4|C<3>}	N(CC[5a]H)(NC[5])	116.3480	0.000	1	116.3480	0.000	1	112.9967	8.424	3	111.2714	2.734	24	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	3:2:	C[5]-3:N-2:	C[5,6a]-3:S[5]-2:N-2:	C-3:N-2:	N(C[5]C[5,6a]S[5])(NC)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(NN)	N(CC[6a]H)(NC[5])	N(C[5]C[5,6a]S[5])(NC)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(NN){1|H<1>,4|C<3>}	N(CC[6a]H)(NC[5])	111.3210	0.000	2	111.3210	0.000	2	112.9967	8.424	3	111.2714	2.734	24	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	3:2:	C[5]-3:N-2:	C[5]-3:N[5]-2:N-2:	C[6a]-3:N-2:	N(C[5]C[5]N[5])(NC[6a])	C[5](C[5]N[5]H)(N[5]C[5])(NN)	N(C[6a]C[6a]2)(NC[5])	N(C[5]C[5]N[5])(NC[6a])	C[5](C[5]N[5]H)(N[5]C[5])(NN){1|C<4>}	N(C[6a]C[6a]2)(NC[5])	113.5010	0.000	1	113.5010	0.000	1	113.5010	0.000	1	111.2714	2.734	24	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	3:2:	C[5]-3:N-2:	C[5]-3:S[5]-2:N-2:	C[5]-3:N-2:	N(C[5]C[5]S[5])(NC[5])	C[5](C[5]N[5]Cl)(S[5]S[5])(NN)	N(C[5]C[5]S[5])(NC[5])	N(C[5]C[5]S[5])(NC[5])	C[5](C[5]N[5]Cl)(S[5]S[5])(NN)	N(C[5]C[5]S[5])(NC[5])	111.8730	0.764	3	111.8730	0.583	3	111.8730	0.583	3	111.2714	2.734	24	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	3:2:	C[5]-3:N-2:	N[5]-3:N[5]-2:N-2:	C[6]-3:N-2:	N(C[5]N[5]2)(NC[6])	C[5](N[5]C[5]H)(N[5]N[5])(NN)	N(C[6]C[6]2)(NC[5])	N(C[5]N[5]2)(NC[6])	C[5](N[5]C[5]H)(N[5]N[5])(NN)	N(C[6]C[6]2)(NC[5])	113.1065	0.080	2	113.1065	0.006	2	113.1065	0.006	2	111.2714	2.734	24	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	3:2:	C[5]-3:N-2:	N[5]-3:S[5]-2:N-2:	C-3:N-2:	N(C[5]N[5]S[5])(NC)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NN)	N(CC[6a]H)(NC[5])	N(C[5]N[5]S[5])(NC)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NN){2|C<3>}	N(CC[6a]H)(NC[5])	111.5250	0.000	1	111.5250	0.000	1	110.6512	0.771	10	111.2714	2.734	24	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	3:2:	C[5]-3:N-2:	N[5]-3:S[5]-2:N-2:	C-3:N-2:	N(C[5]N[5]S[5])(NC)	C[5](N[5]C[5]C)(S[5]C[5])(NN)	N(CC[6a]H)(NC[5])	N(C[5]N[5]S[5])(NC)	C[5](N[5]C[5]C)(S[5]C[5])(NN){1|C<3>,1|C<4>}	N(CC[6a]H)(NC[5])	110.8170	0.000	1	110.8170	0.000	1	110.6512	0.771	10	111.2714	2.734	24	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	3:2:	C[5]-3:N-2:	N[5]-3:S[5]-2:N-2:	C-3:N-2:	N(C[5]N[5]S[5])(NC)	C[5](N[5]C[5]H)(S[5]C[5])(NN)	N(CC[6a]H)(NC[5])	N(C[5]N[5]S[5])(NC)	C[5](N[5]C[5]H)(S[5]C[5])(NN){1|C<3>,3|H<1>}	N(CC[6a]H)(NC[5])	110.2140	0.000	1	110.6873	0.451	4	110.6512	0.771	10	111.2714	2.734	24	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	3:2:	C[5]-3:N-2:	N[5]-3:S[5]-2:N-2:	C-3:N-2:	N(C[5]N[5]S[5])(NC)	C[5](N[5]C[5]H)(S[5]C[5])(NN)	N(CC[6a]H)(NC[5])	N(C[5]N[5]S[5])(NC)	C[5](N[5]C[5]H)(S[5]C[5])(NN){1|C<4>,1|H<1>}	N(CC[6a]H)(NC[5])	110.5510	0.733	2	110.6873	0.451	4	110.6512	0.771	10	111.2714	2.734	24	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	3:2:	C[5]-3:N-2:	N[5]-3:S[5]-2:N-2:	C-3:N-2:	N(C[5]N[5]S[5])(NC)	C[5](N[5]C[5]H)(S[5]C[5])(NN)	N(CC[6a]H)(NC[5])	N(C[5]N[5]S[5])(NC)	C[5](N[5]C[5]H)(S[5]C[5])(NN){1|C<4>,3|H<1>}	N(CC[6a]H)(NC[5])	111.4330	0.000	1	110.6873	0.451	4	110.6512	0.771	10	111.2714	2.734	24	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	3:2:	C[5]-3:N-2:	N[5]-3:S[5]-2:N-2:	C-3:N-2:	N(C[5]N[5]S[5])(NC)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NN)	N(CC[6]C)(NC[5])	N(C[5]N[5]S[5])(NC)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NN){1|H<1>,3|C<3>}	N(CC[6]C)(NC[5])	108.5900	0.000	1	108.5900	0.000	1	110.6512	0.771	10	111.2714	2.734	24	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	3:2:	C[5]-3:N-2:	N[5]-3:S[5]-2:N-2:	C-3:N-2:	N(C[5]N[5]S[5])(NC)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NN)	N(CC[6a]C)(NC[5])	N(C[5]N[5]S[5])(NC)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NN){1|H<1>,3|C<3>}	N(CC[6a]C)(NC[5])	111.1290	0.274	2	111.1290	0.075	2	110.6512	0.771	10	111.2714	2.734	24	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	3:2:	C[5]-3:N-2:	N[5]-3:S[5]-2:N-2:	C-3:N-2:	N(C[5]N[5]S[5])(NC)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NN)	N(CC[6a]H)(NC[5])	N(C[5]N[5]S[5])(NC)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NN){1|C<4>,3|C<3>}	N(CC[6a]H)(NC[5])	110.5730	0.000	1	110.5730	0.000	1	110.6512	0.771	10	111.2714	2.734	24	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	3:2:	C[5]-3:N-2:	N[5]-3:S[5]-2:N-2:	C[5,6]-3:N-2:	N(C[5]N[5]S[5])(NC[5,6])	C[5](N[5]C[5]C)(S[5]C[5])(NN)	N(C[5,6]C[5,5,6]C[5,6])(NC[5])	N(C[5]N[5]S[5])(NC[5,6])	C[5](N[5]C[5]C)(S[5]C[5])(NN){1|O<1>,2|H<1>}	N(C[5,6]C[5,5,6]C[5,6])(NC[5])	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	111.2714	2.734	24	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	3:2:	C[5]-3:N-2:	N[5]-3:S[5]-2:N-2:	C[5]-3:N-2:	N(C[5]N[5]S[5])(NC[5])	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NN)	N(C[5]N[5]S[5])(NC[5])	N(C[5]N[5]S[5])(NC[5])	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NN){2|C<3>}	N(C[5]N[5]S[5])(NC[5])	110.6075	0.633	2	110.6075	0.401	2	110.6075	0.401	2	111.2714	2.734	24	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	3:2:	C[5]-3:N-2:	N[5]-3:S[5]-2:N-2:	C[6,6]-3:N-2:	N(C[5]N[5]S[5])(NC[6,6])	C[5](N[5]C[5]H)(S[5]C[5])(NN)	N(C[6,6]C[6,6]2)(NC[5])	N(C[5]N[5]S[5])(NC[6,6])	C[5](N[5]C[5]H)(S[5]C[5])(NN){1|O<1>,2|H<1>}	N(C[6,6]C[6,6]2)(NC[5])	108.8300	0.000	1	108.8300	0.000	1	108.8300	0.000	1	111.2714	2.734	24	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:2:2:	3:2:	C[5]-3:N-2:	N[5]-3:S[5]-2:N-2:	C[6]-3:N-2:	N(C[5]N[5]S[5])(NC[6])	C[5](N[5]C[5]C)(S[5]C[5])(NN)	N(C[6]C[6]2)(NC[5])	N(C[5]N[5]S[5])(NC[6])	C[5](N[5]C[5]C)(S[5]C[5])(NN){1|O<1>,2|H<1>}	N(C[6]C[6]2)(NC[5])	110.4830	0.000	1	110.4830	0.000	1	110.4830	0.000	1	111.2714	2.734	24	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	2:1:	C[5]-3:N-2:	N[5]-3:C[5]-3:N-2:	N-2:O-1:	N(C[5]C[5]N[5])(NO)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NN)	N(NC[5])(O)	N(C[5]C[5]N[5])(NO)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NN){4|C<3>}	N(NC[5])(O)	114.1055	5.242	2	114.1055	27.476	2	114.1055	27.476	2	112.0659	8.108	7	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	2:1:	C[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	N-2:O-1:	N(C[5]N[5]2)(NO)	C[5](N[5]C[5]C)2(NN)	N(NC[5])(O)	N(C[5]N[5]2)(NO)	C[5](N[5]C[5]C)2(NN){2|H<1>}	N(NC[5])(O)	112.1573	1.293	3	112.1573	1.673	3	111.2500	2.381	5	112.0659	8.108	7	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	2:1:	C[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	N-2:O-1:	N(C[5]N[5]2)(NO)	C[5](N[5]C[6a]C[5])2(NN)	N(NC[5])(O)	N(C[5]N[5]2)(NO)	C[5](N[5]C[6a]C[5])2(NN){2|H<1>,4|C<3>}	N(NC[5])(O)	109.8400	0.000	1	109.8890	0.005	2	111.2500	2.381	5	112.0659	8.108	7	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	2:1:	C[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	N-2:O-1:	N(C[5]N[5]2)(NO)	C[5](N[5]C[6a]C[5])2(NN)	N(NC[5])(O)	N(C[5]N[5]2)(NO)	C[5](N[5]C[6a]C[5])2(NN){4|C<3>,4|H<1>}	N(NC[5])(O)	109.9380	0.000	1	109.8890	0.005	2	111.2500	2.381	5	112.0659	8.108	7	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	2:2:	C[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	N-2:N-2:	N(C[5]N[5]2)(NN)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(NN)	N(NC[6a])(NC[5])	N(C[5]N[5]2)(NN)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(NN){2|C<3>}	N(NC[6a])(NC[5])	114.0440	0.000	1	114.0440	0.000	1	114.4969	2.391	14	114.0142	3.458	17	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	2:2:	C[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	N-2:N-2:	N(C[5]N[5]2)(NN)	C[5](N[5]C[5,6a]C)2(NN)	N(NC[6a])(NC[5])	N(C[5]N[5]2)(NN)	C[5](N[5]C[5,6a]C)2(NN){2|C<3>}	N(NC[6a])(NC[5])	114.1095	0.573	2	114.1095	0.329	2	114.4969	2.391	14	114.0142	3.458	17	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	2:2:	C[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	N-2:N-2:	N(C[5]N[5]2)(NN)	C[5](N[5]C[5]C)2(NN)	N(NC[6a])(NC[5])	N(C[5]N[5]2)(NN)	C[5](N[5]C[5]C)2(NN){2|H<1>}	N(NC[6a])(NC[5])	112.5077	0.322	3	112.5077	0.104	3	114.4969	2.391	14	114.0142	3.458	17	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	2:2:	C[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	N-2:N-2:	N(C[5]N[5]2)(NN)	C[5](N[5]C[6a]C[5])2(NN)	N(NC[5])2	N(C[5]N[5]2)(NN)	C[5](N[5]C[6a]C[5])2(NN){2|H<1>,4|C<3>}	N(NC[5])2	115.3962	1.293	8	115.3962	1.671	8	114.4969	2.391	14	114.0142	3.458	17	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	2:2:	C[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	N-2:O-2:	N(C[5]N[5]2)(NO)	C[5](N[5]C[5]C)2(NN)	N(NC[5])(OB)	N(C[5]N[5]2)(NO)	C[5](N[5]C[5]C)2(NN){2|C<4>}	N(NC[5])(OB)	110.1960	0.000	1	110.8595	0.880	2	111.7620	2.884	3	114.0142	3.458	17	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	2:2:	C[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	N-2:O-2:	N(C[5]N[5]2)(NO)	C[5](N[5]C[5]C)2(NN)	N(NC[5])(OB)	N(C[5]N[5]2)(NO)	C[5](N[5]C[5]C)2(NN){2|H<1>}	N(NC[5])(OB)	111.5230	0.000	1	110.8595	0.880	2	111.7620	2.884	3	114.0142	3.458	17	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	2:2:	C[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	N-2:O-2:	N(C[5]N[5]2)(NO)	C[5](N[5]C[6a]C[5])2(NN)	N(NC[5])(OC)	N(C[5]N[5]2)(NO)	C[5](N[5]C[6a]C[5])2(NN){2|H<1>,4|C<3>}	N(NC[5])(OC)	113.5670	0.000	1	113.5670	0.000	1	111.7620	2.884	3	114.0142	3.458	17	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	2:3:	C[5]-3:N-2:	C[5,6a]-3:C[5,6a]-3:N-2:	N-2:C-3:	N(C[5]C[5,6a]2)(NC)	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	N(NC[5])(CNN)	N(C[5]C[5,6a]2)(NC)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	N(NC[5])(CNN)	116.5920	0.000	1	116.5920	0.000	1	117.7030	2.469	2	114.1965	8.906	8	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	2:3:	C[5]-3:N-2:	C[5,6a]-3:C[5,6a]-3:N-2:	N-2:C-3:	N(C[5]C[5,6a]2)(NC)	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	N(NC[5])(CNS)	N(C[5]C[5,6a]2)(NC)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|C<3>,2|H<1>,2|N<2>}	N(NC[5])(CNS)	118.8140	0.000	1	118.8140	0.000	1	117.7030	2.469	2	114.1965	8.906	8	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	2:3:	C[5]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N-2:C-3:	N(C[5]C[5,6a]C[5])(NC)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NN)	N(NC[5])(CNS)	N(C[5]C[5,6a]C[5])(NC)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NN){1|H<1>,3|C<3>}	N(NC[5])(CNS)	113.6475	0.438	2	113.6475	0.192	2	114.7460	3.716	3	114.1965	8.906	8	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	2:3:	C[5]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N-2:C-3:	N(C[5]C[5,6a]C[5])(NC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(NC[5])(CNS)	N(C[5]C[5,6a]C[5])(NC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	N(NC[5])(CNS)	116.9430	0.000	1	116.9430	0.000	1	114.7460	3.716	3	114.1965	8.906	8	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	2:3:	C[5]-3:N-2:	N[5,6]-3:N[5]-3:N-2:	N-2:C-3:	N(C[5]N[5,6]N[5])(NC)	C[5](N[5,6]C[5,6]C[6])(N[5]C[6a]N[5])(NN)	N(NC[5])(CCH)	N(C[5]N[5,6]N[5])(NC)	C[5](N[5,6]C[5,6]C[6])(N[5]C[6a]N[5])(NN){1|H<1>,2|C<4>,3|C<3>}	N(NC[5])(CCH)	111.7430	0.898	2	111.7430	0.806	2	111.7430	0.806	2	114.1965	8.906	8	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	2:3:	C[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	N-2:C-3:	N(C[5]N[5]2)(NC)	C[5](N[5]C[5]C)(N[5]C[5]H)(NN)	N(NC[5])(CCH)	N(C[5]N[5]2)(NC)	C[5](N[5]C[5]C)(N[5]C[5]H)(NN){4|H<1>}	N(NC[5])(CCH)	110.4420	0.000	1	110.4420	0.000	1	110.4420	0.000	1	114.1965	8.906	8	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	3:2:	C[5]-3:N-2:	C[5,6a]-3:C[5,6a]-3:N-2:	C-3:N-2:	N(C[5]C[5,6a]2)(NC)	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	N(CC[6a]2)(NC[5])	N(C[5]C[5,6a]2)(NC)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	N(CC[6a]2)(NC[5])	114.0080	0.000	1	114.0080	0.000	1	113.1345	0.859	4	112.5737	7.791	27	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	3:2:	C[5]-3:N-2:	C[5,6a]-3:C[5,6a]-3:N-2:	C-3:N-2:	N(C[5]C[5,6a]2)(NC)	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	N(CC[6a]H)(NC[5])	N(C[5]C[5,6a]2)(NC)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|C<3>,2|H<1>,2|N<2>}	N(CC[6a]H)(NC[5])	113.1530	0.993	2	112.8433	0.780	3	113.1345	0.859	4	112.5737	7.791	27	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	3:2:	C[5]-3:N-2:	C[5,6a]-3:C[5,6a]-3:N-2:	C-3:N-2:	N(C[5]C[5,6a]2)(NC)	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	N(CC[6a]H)(NC[5])	N(C[5]C[5,6a]2)(NC)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	N(CC[6a]H)(NC[5])	112.2240	0.000	1	112.8433	0.780	3	113.1345	0.859	4	112.5737	7.791	27	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	3:2:	C[5]-3:N-2:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5]-3:N-2:	N(C[5]C[5,6a]2)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	N(C[5]N[5]2)(NC[5])	N(C[5]C[5,6a]2)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	N(C[5]N[5]2)(NC[5])	116.3860	0.419	2	116.3860	0.175	2	116.3860	0.175	2	112.5737	7.791	27	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	3:2:	C[5]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN)	N(C[5]C[5,6a]C[5])(NC[5])	N(C[5]C[5,6a]C[5])(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN){1|H<1>,1|O<2>,4|C<3>}	N(C[5]C[5,6a]C[5])(NC[5])	112.6210	0.000	1	112.7030	0.013	2	112.7030	0.013	2	112.5737	7.791	27	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	3:2:	C[5]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN)	N(C[5]C[5,6a]C[5])(NC[5])	N(C[5]C[5,6a]C[5])(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN){1|H<1>,1|S<4>,4|C<3>}	N(C[5]C[5,6a]C[5])(NC[5])	112.7850	0.000	1	112.7030	0.013	2	112.7030	0.013	2	112.5737	7.791	27	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	3:2:	C[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	C[5]-3:N-2:	N(C[5]N[5]2)(NC[5])	C[5](N[5]C[5]C)2(NN)	N(C[5]C[5,6a]2)(NC[5])	N(C[5]N[5]2)(NC[5])	C[5](N[5]C[5]C)2(NN){2|C<4>}	N(C[5]C[5,6a]2)(NC[5])	113.5890	0.000	1	113.5890	0.000	1	111.6425	7.578	2	112.5737	7.791	27	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	3:2:	C[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	C[5]-3:N-2:	N(C[5]N[5]2)(NC[5])	C[5](N[5]C[6a]C[5])2(NN)	N(C[5]C[5,6a]2)(NC[5])	N(C[5]N[5]2)(NC[5])	C[5](N[5]C[6a]C[5])2(NN){2|H<1>,4|C<3>}	N(C[5]C[5,6a]2)(NC[5])	109.6960	0.000	1	109.6960	0.000	1	111.6425	7.578	2	112.5737	7.791	27	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	3:2:	C[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	C[6a]-3:N-2:	N(C[5]N[5]2)(NC[6a])	C[5](N[5]C[5]H)2(NN)	N(C[6a]C[6a,6a]C[6a])(NC[5])	N(C[5]N[5]2)(NC[6a])	C[5](N[5]C[5]H)2(NN){2|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[5])	111.9370	0.243	2	111.9370	0.059	2	111.8985	9.760	16	112.5737	7.791	27	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	3:2:	C[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	C[6a]-3:N-2:	N(C[5]N[5]2)(NC[6a])	C[5](N[5]C[5]H)2(NN)	N(C[6a]C[6a]2)(NC[5])	N(C[5]N[5]2)(NC[6a])	C[5](N[5]C[5]H)2(NN){2|H<1>}	N(C[6a]C[6a]2)(NC[5])	108.7583	5.144	4	108.7583	26.460	4	111.8985	9.760	16	112.5737	7.791	27	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	3:2:	C[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	C[6a]-3:N-2:	N(C[5]N[5]2)(NC[6a])	C[5](N[5]C[5]Zn)(N[5]C[5]H)(NN)	N(C[6a]C[6a]2)(NC[5])	N(C[5]N[5]2)(NC[6a])	C[5](N[5]C[5]Zn)(N[5]C[5]H)(NN){2|H<1>}	N(C[6a]C[6a]2)(NC[5])	113.1145	1.264	2	113.1145	1.597	2	111.8985	9.760	16	112.5737	7.791	27	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	3:2:	C[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	C[6a]-3:N-2:	N(C[5]N[5]2)(NC[6a])	C[5](N[5]C[6a]C[5])2(NN)	N(C[6a]C[6a]2)(NC[5])	N(C[5]N[5]2)(NC[6a])	C[5](N[5]C[6a]C[5])2(NN){2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(NC[5])	113.1550	1.215	8	113.1550	1.476	8	111.8985	9.760	16	112.5737	7.791	27	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:3:2:	3:2:	C[5]-3:N-2:	N[5]-3:N[5]-3:N-2:	N-3:N-2:	N(C[5]N[5]2)(NN)	C[5](N[5]C[5,6a]C)2(NN)	N(NC[6a]C)(NC[5])	N(C[5]N[5]2)(NN)	C[5](N[5]C[5,6a]C)2(NN){2|C<3>}	N(NC[6a]C)(NC[5])	115.1120	0.000	1	115.1120	0.000	1	115.1120	0.000	1	112.5737	7.791	27	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:4:2:	2:3:	C[5]-3:N-2:	C[5,6a]-3:C[5]-4:N-2:	N-2:C-3:	N(C[5]C[5,6a]C[5])(NC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NN)	N(NC[5])(CNN)	N(C[5]C[5,6a]C[5])(NC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NN){2|C<3>,3|H<1>}	N(NC[5])(CNN)	113.6840	0.000	1	113.6840	0.000	1	113.6840	0.000	1	113.6840	0.000	1	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	3:4:2:	3:2:	C[5]-3:N-2:	C[5,6a]-3:C[5]-4:N-2:	C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NN)	N(C[5]C[5,6a]C[5])(NC[5])	N(C[5]C[5,6a]C[5])(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NN){2|C<3>,3|H<1>}	N(C[5]C[5,6a]C[5])(NC[5])	111.5640	0.059	2	111.5640	0.004	2	111.5640	0.004	2	111.5640	0.004	2	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	4:3:2:	3:2:	C[5]-3:N-2:	C[5]-4:C[5]-3:N-2:	C[6a]-3:N-2:	N(C[5]C[5]2)(NC[6a])	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(NN)	N(C[6a]C[6a]2)(NC[5])	N(C[5]C[5]2)(NC[6a])	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(NN){1|S<4>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(NC[5])	113.4950	0.000	1	113.4950	0.000	1	113.4950	0.000	1	113.4950	0.000	1	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	4:4:2:	2:3:	C[5]-3:N-2:	C[5]-4:C[5]-4:N-2:	N-2:C-3:	N(C[5]C[5]2)(NC)	C[5](C[5]C[5]HH)2(NN)	N(NC[5])(CCO)	N(C[5]C[5]2)(NC)	C[5](C[5]C[5]HH)2(NN){4|H<1>}	N(NC[5])(CCO)	112.9360	0.000	1	112.9360	0.000	1	112.9360	0.000	1	112.9360	0.000	1	112.6221	4.723	133	112.6194	4.633	136
941	818	941	0:SP2_SP2_SP2	N	C[5]	N	3:2:	4:4:2:	4:2:	C[5]-3:N-2:	C[5,6]-4:C[5]-4:N-2:	S-4:N-2:	N(C[5]C[5,6]C[5])(NS)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(NN)	N(SC[6a]OO)(NC[5])	N(C[5]C[5,6]C[5])(NS)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(NN){1|C<3>,1|C<4>,8|H<1>}	N(SC[6a]OO)(NC[5])	115.6990	0.000	1	115.6990	0.000	1	115.6990	0.000	1	115.6990	0.000	1	112.6221	4.723	133	112.6194	4.633	136
941	818	945	0:SP2_SP2_SP3	N	C[5]	P	3:3:	3:2:2:	3:3:2:	C[5]-3:P-3:	N[5]-3:S[5]-2:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[5]N[5]S[5])(PC[6a]2)	C[5](N[5]C[5]P)(S[5]C[5])(NP)	P(C[6a]C[6a]2)2(NC[5])	N(C[5]N[5]S[5])(PC[6a]2)	C[5](N[5]C[5]P)(S[5]C[5])(NP){4|H<1>}	P(C[6a]C[6a]2)2(NC[5])	119.9950	0.000	1	119.9950	0.000	1	119.9950	0.000	1	119.9950	0.000	1	126.8898	19.513	6	126.8898	19.513	6
941	818	945	0:SP2_SP2_SP3	N	C[5]	P	3:3:	3:3:2:	2:2:1:	C[5]-3:P-3:	N[5]-3:N[5]-3:N-2:	N-2:N-2:S-1:	N(C[5]N[5]2)(PNS)	C[5](N[5]C[6a]C[5])2(NP)	P(NC[5])2(S)	N(C[5]N[5]2)(PNS)	C[5](N[5]C[6a]C[5])2(NP){2|H<1>,4|C<3>}	P(NC[5])2(S)	129.0550	1.177	2	129.0550	1.384	2	129.0550	1.384	2	129.0550	1.384	2	126.8898	19.513	6	126.8898	19.513	6
941	818	945	0:SP2_SP2_SP3	N	C[5]	P	3:3:	3:3:2:	2:2:4:	C[5]-3:P-3:	N[5]-3:N[5]-3:N-2:	N-2:N-2:C-4:	N(C[5]N[5]2)(PCN)	C[5](N[5]C[5]C)2(NP)	P(NC[5])2(CCCH)	N(C[5]N[5]2)(PCN)	C[5](N[5]C[5]C)2(NP){2|C<4>}	P(NC[5])2(CCCH)	130.0480	2.290	2	130.0480	5.242	2	130.0480	5.242	2	130.0480	5.242	2	126.8898	19.513	6	126.8898	19.513	6
941	818	945	0:SP2_SP2_SP3	N	C[5]	P	3:3:	4:3:2:	2:4:4:	C[5]-3:P-3:	P[5]-4:C[5]-3:N-2:	N-2:C-4:C-4:	N(C[5]C[5]P[5])(PCC)	C[5](P[5]N[5]CC)(C[5]C[5]P)(NP)	P(NC[5])(CC3)2	N(C[5]C[5]P[5])(PCC)	C[5](P[5]N[5]CC)(C[5]C[5]P)(NP){1|C<4>}	P(NC[5])(CC3)2	123.1380	0.000	1	123.1380	0.000	1	123.1380	0.000	1	123.1380	0.000	1	126.8898	19.513	6	126.8898	19.513	6
941	818	951	0:SP2_SP-NON_SP2	N	C[5,6]	H	3:1:	4:2:2:	2:	C[5,6]-3:H-1:	C[5,5,6]-4:O[5,6]-2:N-2:	N-2:	N(C[5,6]C[5,5,6]O[5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(O[5,6]C[5,5,6])(NH)	H(NC[5,6])	N(C[5,6]C[5,5,6]O[5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(O[5,6]C[5,5,6])(NH){2|C<3>,2|C<4>,2|H<1>}	H(NC[5,6])	108.9360	0.000	1	108.9360	0.000	1	107.0450	7.152	2	107.0450	7.152	2	107.0450	7.152	2	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5,6]	H	3:1:	4:2:2:	2:	C[5,6]-3:H-1:	C[5,5,6]-4:O[5,6]-2:N-2:	N-2:	N(C[5,6]C[5,5,6]O[5,6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(O[5,6]C[5,5,6])(NH)	H(NC[5,6])	N(C[5,6]C[5,5,6]O[5,6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(O[5,6]C[5,5,6])(NH){2|C<3>,2|C<4>,2|H<1>}	H(NC[5,6])	105.1540	0.000	1	105.1540	0.000	1	107.0450	7.152	2	107.0450	7.152	2	107.0450	7.152	2	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	2:2:2:	2:	C[5]-3:H-1:	N[5]-2:S[5]-2:N-2:	N-2:	N(C[5]N[5]S[5])(H)	C[5](N[5]C[5,6])(S[5]C[5,6])(NH)	H(NC[5])	N(C[5]N[5]S[5])(H)	C[5](N[5]C[5,6])(S[5]C[5,6])(NH){1|C<4>,1|N<3>,2|H<1>}	H(NC[5])	119.0490	0.000	2	119.0490	0.000	2	119.0490	0.000	2	119.0490	0.000	2	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	2:3:2:	2:	C[5]-3:H-1:	O[5]-2:C[5]-3:N-2:	N-2:	N(C[5]C[5]O[5])(H)	C[5](O[5]C[5,5])(C[5]C[5]C)(NH)	H(NC[5])	N(C[5]C[5]O[5])(H)	C[5](O[5]C[5,5])(C[5]C[5]C)(NH){1|C<4>,1|H<1>,1|O<2>}	H(NC[5])	114.0150	0.000	1	114.0150	0.000	1	114.0150	0.000	1	114.0150	0.000	1	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:2:2:	2:	C[5]-3:H-1:	C[5,6a]-3:N[5]-2:N-2:	N-2:	N(C[5]C[5,6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NH)	H(NC[5])	N(C[5]C[5,6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NH){1|H<1>,1|N<3>,2|C<3>}	H(NC[5])	108.8790	1.681	3	108.8790	2.826	3	108.8790	2.826	3	110.8899	9.626	9	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:2:2:	2:	C[5]-3:H-1:	N[5]-3:O[5]-2:N-2:	N-2:	N(C[5]N[5]O[5])(H)	C[5](N[5]C[5]C)(O[5]C[5])(NH)	H(NC[5])	N(C[5]N[5]O[5])(H)	C[5](N[5]C[5]C)(O[5]C[5])(NH){4|H<1>}	H(NC[5])	108.1950	0.000	1	108.1950	0.000	1	108.1950	0.000	1	110.8899	9.626	9	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:2:2:	2:	C[5]-3:H-1:	N[5]-3:S[5]-2:N-2:	N-2:	N(C[5]N[5]S[5])(H)	C[5](N[5]C[5,6]H)(S[5]C[5,6])(NH)	H(NC[5])	N(C[5]N[5]S[5])(H)	C[5](N[5]C[5,6]H)(S[5]C[5,6])(NH){2|C<4>}	H(NC[5])	109.9800	0.000	1	109.9800	0.000	1	112.6354	9.183	5	110.8899	9.626	9	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:2:2:	2:	C[5]-3:H-1:	N[5]-3:S[5]-2:N-2:	N-2:	N(C[5]N[5]S[5])(H)	C[5](N[5]C[5,6a]C[5a])(S[5]C[5,6a])(NH)	H(NC[5])	N(C[5]N[5]S[5])(H)	C[5](N[5]C[5,6a]C[5a])(S[5]C[5,6a])(NH){1|N<2>,1|N<3>,2|C<3>}	H(NC[5])	111.5200	0.000	1	111.5200	0.000	1	112.6354	9.183	5	110.8899	9.626	9	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:2:2:	2:	C[5]-3:H-1:	N[5]-3:S[5]-2:N-2:	N-2:	N(C[5]N[5]S[5])(H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NH)	H(NC[5])	N(C[5]N[5]S[5])(H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NH){2|C<3>}	H(NC[5])	117.5270	0.000	1	117.5270	0.000	1	112.6354	9.183	5	110.8899	9.626	9	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:2:2:	2:	C[5]-3:H-1:	N[5]-3:S[5]-2:N-2:	N-2:	N(C[5]N[5]S[5])(H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NH)	H(NC[5])	N(C[5]N[5]S[5])(H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NH){1|C<4>,3|C<3>}	H(NC[5])	110.6820	0.000	1	112.0750	3.881	2	112.6354	9.183	5	110.8899	9.626	9	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:2:2:	2:	C[5]-3:H-1:	N[5]-3:S[5]-2:N-2:	N-2:	N(C[5]N[5]S[5])(H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NH)	H(NC[5])	N(C[5]N[5]S[5])(H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NH){1|O<1>,2|C<3>,2|H<1>}	H(NC[5])	113.4680	0.000	1	112.0750	3.881	2	112.6354	9.183	5	110.8899	9.626	9	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5,6a]-3:N[5]-3:N-2:	N-2:	N(C[5]C[5,6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NH)	H(NC[5])	N(C[5]C[5,6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NH){1|H<1>,1|O<1>,2|C<3>}	H(NC[5])	111.5020	0.000	1	111.5020	0.000	1	111.5020	0.000	1	114.1484	25.194	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:N[5]-3:N-2:	N-2:	N(C[5]C[5]N[5])(H)	C[5](C[5]C[5,5]C)(N[5]C[5]S)(NH)	H(NC[5])	N(C[5]C[5]N[5])(H)	C[5](C[5]C[5,5]C)(N[5]C[5]S)(NH){2|C<3>,2|H<1>}	H(NC[5])	121.8960	0.000	1	121.8960	0.000	1	116.0740	28.893	3	114.1484	25.194	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:N[5]-3:N-2:	N-2:	N(C[5]C[5]N[5])(H)	C[5](C[5]C[6]N[5])(N[5]C[5]H)(NH)	H(NC[5])	N(C[5]C[5]N[5])(H)	C[5](C[5]C[6]N[5])(N[5]C[5]H)(NH){2|H<1>,2|N<3>}	H(NC[5])	115.0260	0.000	1	115.0260	0.000	1	116.0740	28.893	3	114.1484	25.194	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:N[5]-3:N-2:	N-2:	N(C[5]C[5]N[5])(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(NH)	H(NC[5])	N(C[5]C[5]N[5])(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(NH){1|O<1>,3|C<3>}	H(NC[5])	111.3000	0.000	1	111.3000	0.000	1	116.0740	28.893	3	114.1484	25.194	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	N[5,5a]-3:N[5]-3:N-2:	N-2:	N(C[5]N[5,5a]N[5])(H)	C[5](N[5,5a]C[5,5a]N[5a])(N[5]N[5]H)(NH)	H(NC[5])	N(C[5]N[5,5a]N[5])(H)	C[5](N[5,5a]C[5,5a]N[5a])(N[5]N[5]H)(NH){1|C<3>,1|N<3>}	H(NC[5])	119.8600	0.000	1	119.8600	0.000	1	119.8600	0.000	1	114.1484	25.194	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	N[5]-3:N[5]-3:N-2:	N-2:	N(C[5]N[5]2)(H)	C[5](N[5]C[5,6a]C)2(NH)	H(NC[5])	N(C[5]N[5]2)(H)	C[5](N[5]C[5,6a]C)2(NH){2|C<3>}	H(NC[5])	111.2667	1.396	3	111.2667	1.949	3	113.4116	26.186	12	114.1484	25.194	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	N[5]-3:N[5]-3:N-2:	N-2:	N(C[5]N[5]2)(H)	C[5](N[5]C[5]C)2(NH)	H(NC[5])	N(C[5]N[5]2)(H)	C[5](N[5]C[5]C)2(NH){2|C<4>}	H(NC[5])	113.8450	5.443	2	112.8003	18.089	3	113.4116	26.186	12	114.1484	25.194	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	N[5]-3:N[5]-3:N-2:	N-2:	N(C[5]N[5]2)(H)	C[5](N[5]C[5]C)2(NH)	H(NC[5])	N(C[5]N[5]2)(H)	C[5](N[5]C[5]C)2(NH){2|H<1>}	H(NC[5])	110.7110	0.000	1	112.8003	18.089	3	113.4116	26.186	12	114.1484	25.194	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	N[5]-3:N[5]-3:N-2:	N-2:	N(C[5]N[5]2)(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(NH)	H(NC[5])	N(C[5]N[5]2)(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(NH){1|C<3>}	H(NC[5])	117.6260	0.000	1	117.6260	0.000	1	113.4116	26.186	12	114.1484	25.194	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	N[5]-3:N[5]-3:N-2:	N-2:	N(C[5]N[5]2)(H)	C[5](N[5]C[5]N)(N[5]N[5]H)(NH)	H(NC[5])	N(C[5]N[5]2)(H)	C[5](N[5]C[5]N)(N[5]N[5]H)(NH){1|H<1>}	H(NC[5])	118.2330	0.000	1	118.2330	0.000	1	113.4116	26.186	12	114.1484	25.194	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	N[5]-3:N[5]-3:N-2:	N-2:	N(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NH)	H(NC[5])	N(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NH){2|C<3>,4|H<1>}	H(NC[5])	117.4730	0.000	1	117.4730	0.000	1	113.4116	26.186	12	114.1484	25.194	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	N[5]-3:N[5]-3:N-2:	N-2:	N(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(NH)	H(NC[5])	N(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(NH){2|H<1>,4|C<3>}	H(NC[5])	106.5140	0.000	2	106.5140	0.000	2	113.4116	26.186	12	114.1484	25.194	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	N[5]-3:N[5]-3:N-2:	N-2:	N(C[5]N[5]2)(H)	C[5](N[5]N[5]C)(N[5]N[5]N)(NH)	H(NC[5])	N(C[5]N[5]2)(H)	C[5](N[5]N[5]C)(N[5]N[5]N)(NH)	H(NC[5])	122.3780	0.000	1	122.3780	0.000	1	113.4116	26.186	12	114.1484	25.194	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	3:4:2:	2:	C[5]-3:H-1:	N[5]-3:C[5]-4:N-2:	N-2:	N(C[5]C[5]N[5])(H)	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(NH)	H(NC[5])	N(C[5]C[5]N[5])(H)	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(NH){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	H(NC[5])	111.8420	0.000	1	111.8420	0.000	1	111.8420	0.000	1	111.8420	0.000	1	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	4:2:2:	2:	C[5]-3:H-1:	C[5,6]-4:O[5]-2:N-2:	N-2:	N(C[5]C[5,6]O[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(NH)	H(NC[5])	N(C[5]C[5,6]O[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(NH){1|H<1>,1|O<2>,2|C<2>,3|C<4>}	H(NC[5])	106.4210	0.000	1	106.4210	0.000	1	106.4210	0.000	1	106.4210	0.000	1	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5,5]-4:C[5]-3:N-2:	N-2:	N(C[5]C[5,5]C[5])(H)	C[5](C[5,5]C[5]2N[5])(C[5]N[5]O)(NH)	H(NC[5])	N(C[5]C[5,5]C[5])(H)	C[5](C[5,5]C[5]2N[5])(C[5]N[5]O)(NH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(NC[5])	107.8620	0.000	1	107.8620	0.000	1	107.8620	0.000	1	112.6598	12.128	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5,5]-4:N[5]-3:N-2:	N-2:	N(C[5]C[5,5]N[5])(H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(NH)	H(NC[5])	N(C[5]C[5,5]N[5])(H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(NH){1|N<3>,2|C<3>,2|S<1>}	H(NC[5])	113.6625	2.531	2	113.6625	6.405	2	112.2833	8.909	3	112.6598	12.128	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5,5]-4:N[5]-3:N-2:	N-2:	N(C[5]C[5,5]N[5])(H)	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]C)(NH)	H(NC[5])	N(C[5]C[5,5]N[5])(H)	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]C)(NH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(NC[5])	109.5250	0.000	1	109.5250	0.000	1	112.2833	8.909	3	112.6598	12.128	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5,6]-4:N[5]-3:N-2:	N-2:	N(C[5]C[5,6]N[5])(H)	C[5](C[5,6]N[5,6]C[6a]C[6])(N[5]C[5]C)(NH)	H(NC[5])	N(C[5]C[5,6]N[5])(H)	C[5](C[5,6]N[5,6]C[6a]C[6])(N[5]C[5]C)(NH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(NC[5])	110.0620	0.000	1	110.0620	0.000	1	110.0620	0.000	1	112.6598	12.128	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5]-4:C[5]-3:N-2:	N-2:	N(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NH)	H(NC[5])	N(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NH){4|H<1>}	H(NC[5])	118.6815	1.740	2	118.6815	3.028	2	116.4127	16.957	3	112.6598	12.128	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5]-4:C[5]-3:N-2:	N-2:	N(C[5]C[5]2)(H)	C[5](C[5]N[5]CC)(C[5]C[5]C)(NH)	H(NC[5])	N(C[5]C[5]2)(H)	C[5](C[5]N[5]CC)(C[5]C[5]C)(NH){1|C<3>,1|O<1>}	H(NC[5])	111.8750	0.000	1	111.8750	0.000	1	116.4127	16.957	3	112.6598	12.128	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5]-4:N[5]-3:N-2:	N-2:	N(C[5]C[5]N[5])(H)	C[5](C[5]C[6a]2N[5])(N[5]C[6a]C[5])(NH)	H(NC[5])	N(C[5]C[5]N[5])(H)	C[5](C[5]C[6a]2N[5])(N[5]C[6a]C[5])(NH){1|H<1>,1|O<1>,6|C<3>}	H(NC[5])	110.1370	0.000	1	110.1370	0.000	1	112.3561	8.630	9	112.6598	12.128	17	113.0026	18.244	48	112.7643	19.036	50
941	818	951	0:SP2_SP-NON_SP2	N	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5]-4:N[5]-3:N-2:	N-2:	N(C[5]C[5]N[5])(H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH)	H(NC[5])	N(C[5]C[5]N[5])(H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH){1|C<4>,1|O<1>,2|C<3>}	H(NC[5])	112.6335	3.012	8	112.6335	9.071	8	112.3561	8.630	9	112.6598	12.128	17	113.0026	18.244	48	112.7643	19.036	50
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:2:2:	3:2:1:1:	C[5]-3:S-4:	C[5,6a]-3:O[5]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5,6a]O[5])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5,6a]O[5])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NS){1|C<4>,2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	121.4290	0.773	3	121.4290	0.598	3	121.4290	0.598	3	120.5739	0.776	102	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:2:2:	3:2:1:1:	C[5]-3:S-4:	N[5,5]-3:O[5]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]N[5,5]O[5])(SC[6a]OO)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]N[5,5]O[5])(SC[6a]OO)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(NS){2|C<4>,5|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	118.9580	0.000	1	118.9580	0.000	1	118.9580	0.000	1	120.5739	0.776	102	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:2:2:	3:2:1:1:	C[5]-3:S-4:	N[5,6]-3:O[5]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]N[5,6]O[5])(SC[6a]OO)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]N[5,6]O[5])(SC[6a]OO)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(NS){2|C<4>,5|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	122.1900	0.000	1	122.1900	0.000	1	122.1900	0.000	1	120.5739	0.776	102	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:2:2:	3:2:1:1:	C[5]-3:S-4:	N[5]-3:O[5]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]N[5]O[5])(SC[6a]OO)	C[5](N[5]C[5]C)(O[5]C[5])(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]N[5]O[5])(SC[6a]OO)	C[5](N[5]C[5]C)(O[5]C[5])(NS){1|C<4>,3|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	119.0390	0.000	1	119.0390	0.000	1	119.0390	0.000	1	120.5739	0.776	102	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:2:2:	3:2:1:1:	C[5]-3:S-4:	N[5]-3:S[5]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]N[5]S[5])(SC[6a]OO)	C[5](N[5]C[5,6a]Cu)(S[5]C[5,6a])(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]N[5]S[5])(SC[6a]OO)	C[5](N[5]C[5,6a]Cu)(S[5]C[5,6a])(NS){2|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	120.4300	0.000	1	120.4300	0.000	1	120.5632	0.710	96	120.5739	0.776	102	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:2:2:	3:2:1:1:	C[5]-3:S-4:	N[5]-3:S[5]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]N[5]S[5])(SC[6a]OO)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]N[5]S[5])(SC[6a]OO)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NS){2|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	120.7460	0.000	1	120.7460	0.000	1	120.5632	0.710	96	120.5739	0.776	102	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:2:2:	3:2:1:1:	C[5]-3:S-4:	N[5]-3:S[5]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]N[5]S[5])(SC[6a]OO)	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]N[5]S[5])(SC[6a]OO)	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(NS){2|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	122.3690	0.000	1	122.3690	0.000	1	120.5632	0.710	96	120.5739	0.776	102	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:2:2:	3:2:1:1:	C[5]-3:S-4:	N[5]-3:S[5]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]N[5]S[5])(SC[6a]OO)	C[5](N[5]C[5]H)(S[5]C[5])(NS)	S(C[6a]C[6a,6a]C[6a])(NC[5])(O)2	N(C[5]N[5]S[5])(SC[6a]OO)	C[5](N[5]C[5]H)(S[5]C[5])(NS){1|C<4>,1|H<1>}	S(C[6a]C[6a,6a]C[6a])(NC[5])(O)2	120.0350	0.000	1	120.0350	0.000	1	120.5632	0.710	96	120.5739	0.776	102	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:2:2:	3:2:1:1:	C[5]-3:S-4:	N[5]-3:S[5]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]N[5]S[5])(SC[6a]OO)	C[5](N[5]C[5]H)(S[5]C[5])(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]N[5]S[5])(SC[6a]OO)	C[5](N[5]C[5]H)(S[5]C[5])(NS){1|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	122.1440	0.000	1	120.4835	0.786	69	120.5632	0.710	96	120.5739	0.776	102	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:2:2:	3:2:1:1:	C[5]-3:S-4:	N[5]-3:S[5]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]N[5]S[5])(SC[6a]OO)	C[5](N[5]C[5]H)(S[5]C[5])(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]N[5]S[5])(SC[6a]OO)	C[5](N[5]C[5]H)(S[5]C[5])(NS){2|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	120.4591	0.869	68	120.4835	0.786	69	120.5632	0.710	96	120.5739	0.776	102	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:2:2:	3:2:1:1:	C[5]-3:S-4:	N[5]-3:S[5]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]N[5]S[5])(SC[6a]OO)	C[5](N[5]C[5]S)(S[5]C[5])(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]N[5]S[5])(SC[6a]OO)	C[5](N[5]C[5]S)(S[5]C[5])(NS){4|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	121.6270	0.000	1	121.6270	0.000	1	120.5632	0.710	96	120.5739	0.776	102	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:2:2:	3:2:1:1:	C[5]-3:S-4:	N[5]-3:S[5]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]N[5]S[5])(SC[6a]OO)	C[5](N[5]N[5]H)(S[5]C[5])(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]N[5]S[5])(SC[6a]OO)	C[5](N[5]N[5]H)(S[5]C[5])(NS){1|C<4>}	S(C[6a]C[6a]2)(NC[5])(O)2	120.7045	0.633	22	120.7045	0.400	22	120.5632	0.710	96	120.5739	0.776	102	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:3:2:	2:4:1:1:	C[5]-3:S-4:	C[5,6a]-3:C[5]-3:N-2:	N-2:C-4:O-1:O-1:	N(C[5]C[5,6a]C[5])(SCOO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NS)	S(NC[5])(CC3)(O)2	N(C[5]C[5,6a]C[5])(SCOO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NS){1|C<4>,1|H<1>,2|C<3>}	S(NC[5])(CC3)(O)2	120.4670	0.000	1	120.4670	0.000	1	120.4670	0.000	1	120.4670	0.000	1	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5,6a]-3:C[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5,6a]C[5])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5,6a]C[5])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NS){1|H<1>,3|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	124.4340	0.000	1	124.4340	0.000	1	124.4340	0.000	1	124.5250	8.578	5	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5]-3:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(NS){2|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	123.7460	0.000	1	123.7460	0.000	1	123.7460	0.000	1	124.5250	8.578	5	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:3:2:	3:2:1:1:	C[5]-3:S-4:	N[5]-3:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]N[5]2)(SC[6a]OO)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]N[5]2)(SC[6a]OO)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NS){2|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	122.1830	0.000	1	122.1830	0.000	1	124.8150	16.722	3	124.5250	8.578	5	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:3:2:	3:2:1:1:	C[5]-3:S-4:	N[5]-3:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]N[5]2)(SC[6a]OO)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]S)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]N[5]2)(SC[6a]OO)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]S)(NS){2|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	129.5260	0.000	1	129.5260	0.000	1	124.8150	16.722	3	124.5250	8.578	5	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:3:2:	3:2:1:1:	C[5]-3:S-4:	N[5]-3:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]N[5]2)(SC[6a]OO)	C[5](N[5]C[5]C)(N[5]C[5]H)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]N[5]2)(SC[6a]OO)	C[5](N[5]C[5]C)(N[5]C[5]H)(NS){1|O<1>,2|C<4>}	S(C[6a]C[6a]2)(NC[5])(O)2	122.7360	0.000	1	122.7360	0.000	1	124.8150	16.722	3	124.5250	8.578	5	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:4:2:	3:2:1:1:	C[5]-3:S-4:	C[5,5a]-3:C[5]-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5,5a]C[5])(SC[6a]OO)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]O)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5,5a]C[5])(SC[6a]OO)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]O)(NS){1|N<3>,2|H<1>,4|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	123.1150	0.000	1	123.1150	0.000	1	123.1150	0.000	1	121.3308	2.266	11	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:4:2:	3:2:1:1:	C[5]-3:S-4:	N[5,5]-3:C[5]-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]N[5,5]C[5])(SC[6a]OO)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]N[5,5]C[5])(SC[6a]OO)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	118.8880	0.051	2	121.2631	2.257	9	121.2631	2.257	9	121.3308	2.266	11	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:4:2:	3:2:1:1:	C[5]-3:S-4:	N[5,5]-3:C[5]-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]N[5,5]C[5])(SC[6a]OO)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]N[5,5]C[5])(SC[6a]OO)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	121.7830	0.879	5	121.2631	2.257	9	121.2631	2.257	9	121.3308	2.266	11	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:4:2:	3:2:1:1:	C[5]-3:S-4:	N[5,5]-3:C[5]-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]N[5,5]C[5])(SC[6a]OO)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]N[5,5]C[5])(SC[6a]OO)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	122.3385	0.132	2	121.2631	2.257	9	121.2631	2.257	9	121.3308	2.266	11	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	3:4:2:	3:2:1:1:	C[5]-3:S-4:	N[5]-3:C[5]-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(NS){2|C<3>,4|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	120.1560	0.000	1	120.1560	0.000	1	120.1560	0.000	1	121.3308	2.266	11	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:2:2:	3:2:1:1:	C[5]-3:S-4:	C[5,5]-4:O[5]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5,5]O[5])(SC[6a]OO)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5,5]O[5])(SC[6a]OO)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(NS){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	119.1530	0.000	1	119.1530	0.000	1	119.1530	0.000	1	119.9232	0.743	4	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:2:2:	3:2:1:1:	C[5]-3:S-4:	C[5]-4:N[5]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5])(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5])(NS){1|H<1>,1|O<2>,2|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	119.2350	0.000	1	119.2350	0.000	1	119.8325	0.714	2	119.9232	0.743	4	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:2:2:	3:2:1:1:	C[5]-3:S-4:	C[5]-4:N[5]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]N[5,6]C[6a]C)(N[5]C[5,6])(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]N[5,6]C[6a]C)(N[5]C[5,6])(NS){4|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	120.4300	0.000	1	120.4300	0.000	1	119.8325	0.714	2	119.9232	0.743	4	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:2:2:	3:2:1:1:	C[5]-3:S-4:	C[5]-4:O[5]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]O[5])(SC[6a]OO)	C[5](C[5]C[5]CC)(O[5]C[5])(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]O[5])(SC[6a]OO)	C[5](C[5]C[5]CC)(O[5]C[5])(NS){1|C<4>,3|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	120.8750	0.000	1	120.8750	0.000	1	120.8750	0.000	1	119.9232	0.743	4	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	2:2:1:1:	C[5]-3:S-4:	C[3,5]-4:N[5]-3:N-2:	N-2:O-2:O-1:O-1:	N(C[5]C[3,5]N[5])(SO3)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(NS)	S(NC[5])(OC)(O)2	N(C[5]C[3,5]N[5])(SO3)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]H)(NS){2|C<3>,4|H<1>}	S(NC[5])(OC)(O)2	119.6690	0.000	1	119.6690	0.000	1	119.6690	0.000	1	119.6690	0.000	1	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[3,5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[3,5]N[5])(SC[6a]OO)	C[5](C[3,5]C[3,5,5]C[3,5]C)(N[5]C[5,5]C)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[3,5]N[5])(SC[6a]OO)	C[5](C[3,5]C[3,5,5]C[3,5]C)(N[5]C[5,5]C)(NS){2|C<4>,3|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	123.8230	0.000	1	123.8230	0.000	1	125.1307	9.646	6	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[3,5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[3,5]N[5])(SC[6a]OO)	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]C)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[3,5]N[5])(SC[6a]OO)	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]C)(NS){2|C<4>,3|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	122.9190	0.484	2	122.9190	0.234	2	125.1307	9.646	6	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[3,5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[3,5]N[5])(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[3,5]N[5])(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(NS){5|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	123.2630	0.000	1	123.2630	0.000	1	125.1307	9.646	6	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[3,5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[3,5]N[5])(SC[6a]OO)	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[3,5]N[5])(SC[6a]OO)	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(NS){1|C<4>,2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	130.3700	0.000	1	130.3700	0.000	1	125.1307	9.646	6	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[3,5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[3,5]N[5])(SC[6a]OO)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[3,5]N[5])(SC[6a]OO)	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(NS){3|C<3>,3|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	127.4900	0.000	1	127.4900	0.000	1	125.1307	9.646	6	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[4,5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[4,5]N[5])(SC[6a]OO)	C[5](C[4,5]C[4]2N[5])(N[5]C[5]H)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[4,5]N[5])(SC[6a]OO)	C[5](C[4,5]C[4]2N[5])(N[5]C[5]H)(NS){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	122.4510	0.000	1	122.4510	0.000	1	122.4510	0.000	1	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5,5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5,5]N[5])(SC[6a]OO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5,5]N[5])(SC[6a]OO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(NS){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	121.1080	0.000	1	121.1080	0.000	1	126.7263	22.609	6	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5,5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5,5]N[5])(SC[6a]OO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5,5]N[5])(SC[6a]OO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(NS){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	120.9870	0.000	1	120.9870	0.000	1	126.7263	22.609	6	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5,5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5,5]N[5])(SC[6a]OO)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5,5]N[5])(SC[6a]OO)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NS){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	126.2930	0.000	1	126.2930	0.000	1	126.7263	22.609	6	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5,5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5,5]N[5])(SC[6a]OO)	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5,5]N[5])(SC[6a]OO)	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(NS){2|C<4>,3|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	130.6567	1.002	3	130.6567	1.004	3	126.7263	22.609	6	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5]-4:C[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]2)(SC[6a]OO)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]2)(SC[6a]OO)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(NS){3|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	120.5770	0.000	1	120.5770	0.000	1	120.5770	0.000	1	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(NS){2|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	124.6130	0.000	1	124.6130	0.000	1	125.4929	13.693	12	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(NS){2|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	127.1030	0.000	1	127.1030	0.000	1	125.4929	13.693	12	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(NS){2|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	128.2490	0.000	1	128.2490	0.000	1	125.4929	13.693	12	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(NS){6|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	131.6920	0.000	1	131.6920	0.000	1	125.4929	13.693	12	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(NS){4|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	125.5015	0.636	2	125.5015	0.404	2	125.4929	13.693	12	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(NS){4|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	128.0900	0.000	1	128.0900	0.000	1	125.4929	13.693	12	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(NS){2|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	129.6410	0.000	1	129.6410	0.000	1	125.4929	13.693	12	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NS){1|H<1>,1|O<2>,2|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	119.1290	0.000	1	120.0085	1.547	2	125.4929	13.693	12	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NS){4|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	120.8880	0.000	1	120.0085	1.547	2	125.4929	13.693	12	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(NS){1|H<1>,6|C<3>}	S(C[6a]C[6a]2)(NC[5])(O)2	123.0400	0.000	1	123.0400	0.000	1	125.4929	13.693	12	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5]-4:N[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]N[5]HH)(N[5]C[5]C)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]N[5])(SC[6a]OO)	C[5](C[5]N[5]HH)(N[5]C[5]C)(NS){1|H<1>,1|O<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	122.4670	0.000	1	122.4670	0.000	1	125.4929	13.693	12	125.3879	14.198	26	121.5809	6.898	151	121.5809	6.898	151
941	818	952	0:SP2_SP2_SP3	N	C[5]	S	3:4:	4:4:2:	3:2:1:1:	C[5]-3:S-4:	C[5]-4:C[5]-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5]C[5]2)(SC[6a]OO)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(NS)	S(C[6a]C[6a]2)(NC[5])(O)2	N(C[5]C[5]2)(SC[6a]OO)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(NS){1|C<4>,2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[5])(O)2	122.9940	0.000	1	122.9940	0.000	1	122.9940	0.000	1	122.9940	0.000	1	121.5809	6.898	151	121.5809	6.898	151
941	818	956	0:SP2_SP2_SP2	N	C[5,6]	N	3:3:	4:3:2:	2:3:1:	C[5,6]-3:N-3:	C[5,5,6]-4:C[5,6]-3:N-2:	N-2:C-3:H-1:	N(C[5,6]C[5,5,6]C[5,6])(NCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(NN)	N(NC[5,6])(CNS)(H)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(NN){2|H<1>,4|C<4>}	N(NC[5,6])(CNS)(H)	116.9967	0.455	3	116.9967	0.207	3	116.9967	0.207	3	116.9967	0.207	3	116.0385	1.011	14	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5,6]	N	3:3:	4:4:2:	2:3:1:	C[5,6]-3:N-3:	C[5,5,6]-4:C[5,6]-4:N-2:	N-2:C-3:H-1:	N(C[5,6]C[5,5,6]C[5,6])(NCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NN)	N(NC[5,6])(CNO)(H)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NN){3|C<4>,3|H<1>}	N(NC[5,6])(CNO)(H)	116.7350	0.000	1	116.7350	0.000	1	116.7350	0.000	1	116.7350	0.000	1	116.0385	1.011	14	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5,6]	N	3:3:	4:4:2:	3:2:1:	C[5,6]-3:N-3:	C[5,5,6]-4:C[5,6]-4:N-2:	C-3:N-2:H-1:	N(C[5,6]C[5,5,6]C[5,6])(NCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NN)	N(CC[5,6]O)(NC[5,6])(H)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NN){3|C<4>,3|H<1>}	N(CC[5,6]O)(NC[5,6])(H)	115.3440	0.721	8	115.3440	0.520	8	115.6814	0.913	10	115.6814	0.913	10	116.0385	1.011	14	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5,6]	N	3:3:	4:4:2:	3:2:1:	C[5,6]-3:N-3:	C[5,5,6]-4:C[5,6]-4:N-2:	C-3:N-2:H-1:	N(C[5,6]C[5,5,6]C[5,6])(NCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NN)	N(CC[5a]O)(NC[5,6])(H)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NN){3|C<4>,3|H<1>}	N(CC[5a]O)(NC[5,6])(H)	117.0310	0.151	2	117.0310	0.023	2	115.6814	0.913	10	115.6814	0.913	10	116.0385	1.011	14	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	2:2:2:	2:1:1:	C[5]-3:N-3:	N[5]-2:N[5]-2:N-2:	N-2:O-1:O-1:	N(C[5]N[5]2)(NOO)	C[5](N[5]N[5])2(NN)	N(NC[5])(O)2	N(C[5]N[5]2)(NOO)	C[5](N[5]N[5])2(NN)	N(NC[5])(O)2	117.9970	0.000	1	117.9970	0.000	1	117.9970	0.000	1	117.9970	0.000	1	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	2:2:2:	3:2:1:	C[5]-3:N-3:	N[5]-2:N[5]-2:N-2:	C[5]-3:N-2:O-1:	N(C[5]N[5]2)(NC[5]O)	C[5](N[5]N[5])2(NN)	N(C[5]N[5]2)(NC[5])(O)	N(C[5]N[5]2)(NC[5]O)	C[5](N[5]N[5])2(NN)	N(C[5]N[5]2)(NC[5])(O)	117.5145	0.801	2	117.5145	0.642	2	117.5145	0.642	2	117.3440	0.253	4	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	2:2:2:	3:2:1:	C[5]-3:N-3:	S[5]-2:S[5]-2:N-2:	C-3:N-2:H-1:	N(C[5]S[5]2)(NCH)	C[5](S[5]C[5])2(NN)	N(CC[6a]O)(NC[5])(H)	N(C[5]S[5]2)(NCH)	C[5](S[5]C[5])2(NN){4|H<1>}	N(CC[6a]O)(NC[5])(H)	117.1735	0.036	2	117.1735	0.001	2	117.1735	0.001	2	117.3440	0.253	4	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:2:2:	2:1:1:	C[5]-3:N-3:	C[5]-3:N[5]-2:N-2:	N-2:O-1:O-1:	N(C[5]C[5]N[5])(NOO)	C[5](C[5]N[5]N)(N[5]N[5])(NN)	N(NC[5])(O)2	N(C[5]C[5]N[5])(NOO)	C[5](C[5]N[5]N)(N[5]N[5])(NN)	N(NC[5])(O)2	117.8860	0.000	1	117.8860	0.000	1	117.8860	0.000	1	116.5282	0.945	6	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:2:2:	2:1:1:	C[5]-3:N-3:	N[5]-3:N[5]-2:N-2:	N-2:O-1:O-1:	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5,5a]N)(N[5]N[5,5a])(NN)	N(NC[5])(O)2	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5,5a]N)(N[5]N[5,5a])(NN){1|C<3>,1|N<2>}	N(NC[5])(O)2	116.8510	0.000	1	116.8510	0.000	1	116.8725	0.001	2	116.5282	0.945	6	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:2:2:	2:1:1:	C[5]-3:N-3:	N[5]-3:N[5]-2:N-2:	N-2:O-1:O-1:	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]C)(N[5]C[5])(NN)	N(NC[5])(O)2	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]C)(N[5]C[5])(NN){4|H<1>}	N(NC[5])(O)2	116.8940	0.000	1	116.8940	0.000	1	116.8725	0.001	2	116.5282	0.945	6	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:2:2:	2:1:1:	C[5]-3:N-3:	N[5]-3:S[5]-2:N-2:	N-2:O-1:O-1:	N(C[5]N[5]S[5])(NOO)	C[5](N[5]C[5]C)(S[5]C[5])(NN)	N(NC[5])(O)2	N(C[5]N[5]S[5])(NOO)	C[5](N[5]C[5]C)(S[5]C[5])(NN){2|H<1>}	N(NC[5])(O)2	114.9470	0.000	1	114.9470	0.000	1	115.8460	0.622	3	116.5282	0.945	6	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:2:2:	2:1:1:	C[5]-3:N-3:	N[5]-3:S[5]-2:N-2:	N-2:O-1:O-1:	N(C[5]N[5]S[5])(NOO)	C[5](N[5]C[5]H)(S[5]C[5])(NN)	N(NC[5])(O)2	N(C[5]N[5]S[5])(NOO)	C[5](N[5]C[5]H)(S[5]C[5])(NN){2|H<1>}	N(NC[5])(O)2	116.2955	0.180	2	116.2955	0.033	2	115.8460	0.622	3	116.5282	0.945	6	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:2:2:	3:2:1:	C[5]-3:N-3:	C[5,6a]-3:O[5]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5,6a]O[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5,6a]O[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NN){1|H<1>,1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[5])(H)	116.5800	0.000	1	116.5800	0.000	1	116.5800	0.000	1	114.6483	3.633	3	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:2:2:	3:2:1:	C[5]-3:N-3:	N[5]-3:S[5]-2:N-2:	C-3:N-2:H-1:	N(C[5]N[5]S[5])(NCH)	C[5](N[5]C[5]H)(S[5]C[5])(NN)	N(CC[6a]O)(NC[5])(H)	N(C[5]N[5]S[5])(NCH)	C[5](N[5]C[5]H)(S[5]C[5])(NN){1|O<1>,2|H<1>}	N(CC[6a]O)(NC[5])(H)	113.6825	1.292	2	113.6825	1.669	2	113.6825	1.669	2	114.6483	3.633	3	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:2:2:	4:2:1:	C[5]-3:N-3:	N[5]-3:S[5]-2:N-2:	S-4:N-2:H-1:	N(C[5]N[5]S[5])(NHS)	C[5](N[5]C[5]H)(S[5]C[5])(NN)	N(SC[6a]OO)(NC[5])(H)	N(C[5]N[5]S[5])(NHS)	C[5](N[5]C[5]H)(S[5]C[5])(NN){1|O<1>,2|H<1>}	N(SC[6a]OO)(NC[5])(H)	111.9125	0.954	2	111.9125	0.910	2	111.9125	0.910	2	111.9125	0.910	2	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	N-2:H-1:H-1:	N(C[5]C[5,6a]C[5])(NHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(NN)	N(NC[5])(H)2	N(C[5]C[5,6a]C[5])(NHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(NN){1|H<1>,1|N<2>,2|C<3>}	N(NC[5])(H)2	118.3625	0.077	2	118.3625	0.006	2	118.5708	0.153	4	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	N-2:H-1:H-1:	N(C[5]C[5,6a]C[5])(NHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(NC[5])(H)2	N(C[5]C[5,6a]C[5])(NHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|H<1>,3|C<3>}	N(NC[5])(H)2	118.4050	0.000	1	118.7790	0.280	2	118.5708	0.153	4	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	N-2:H-1:H-1:	N(C[5]C[5,6a]C[5])(NHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(NC[5])(H)2	N(C[5]C[5,6a]C[5])(NHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	N(NC[5])(H)2	119.1530	0.000	1	118.7790	0.280	2	118.5708	0.153	4	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	C[5]-3:N[5]-3:N-2:	N-2:O-1:O-1:	N(C[5]C[5]N[5])(NOO)	C[5](C[5]C[5]N[5])(N[5]O[5]O)(NN)	N(NC[5])(O)2	N(C[5]C[5]N[5])(NOO)	C[5](C[5]C[5]N[5])(N[5]O[5]O)(NN){1|C<3>,1|N<2>}	N(NC[5])(O)2	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	N[5,6]-3:N[5]-3:N-2:	N-2:O-1:O-1:	N(C[5]N[5,6]N[5])(NOO)	C[5](N[5,6]C[5,6]N[6])(N[5]N[5]H)(NN)	N(NC[5])(O)2	N(C[5]N[5,6]N[5])(NOO)	C[5](N[5,6]C[5,6]N[6])(N[5]N[5]H)(NN){1|C<3>,1|N<2>}	N(NC[5])(O)2	115.5290	0.000	1	115.5290	0.000	1	115.5290	0.000	1	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	N[5,6a]-3:N[5]-3:N-2:	N-2:O-1:O-1:	N(C[5]N[5,6a]N[5])(NOO)	C[5](N[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(NN)	N(NC[5])(O)2	N(C[5]N[5,6a]N[5])(NOO)	C[5](N[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(NN){1|C<3>,1|N<2>}	N(NC[5])(O)2	114.0770	0.276	2	114.0770	0.076	2	114.0770	0.076	2	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	N[5]-3:N[5]-3:N-2:	N-2:O-1:O-1:	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5,5]H)2(NN)	N(NC[5])(O)2	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5,5]H)2(NN){2|H<1>,2|N<3>}	N(NC[5])(O)2	117.8540	0.000	1	117.8540	0.000	1	116.2484	1.041	27	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	N[5]-3:N[5]-3:N-2:	N-2:O-1:O-1:	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]C)(N[5]C[5]H)(NN)	N(NC[5])(O)2	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]C)(N[5]C[5]H)(NN){2|H<1>}	N(NC[5])(O)2	116.7870	0.000	1	116.8845	0.035	4	116.2484	1.041	27	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	N[5]-3:N[5]-3:N-2:	N-2:O-1:O-1:	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]C)(N[5]C[5]H)(NN)	N(NC[5])(O)2	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]C)(N[5]C[5]H)(NN){4|H<1>}	N(NC[5])(O)2	116.9170	0.214	3	116.8845	0.035	4	116.2484	1.041	27	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	N[5]-3:N[5]-3:N-2:	N-2:O-1:O-1:	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]C)(N[5]C[5]S)(NN)	N(NC[5])(O)2	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]C)(N[5]C[5]S)(NN){4|H<1>}	N(NC[5])(O)2	117.7770	0.000	1	117.7770	0.000	1	116.2484	1.041	27	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	N[5]-3:N[5]-3:N-2:	N-2:O-1:O-1:	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]C)2(NN)	N(NC[5])(O)2	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]C)2(NN){4|H<1>}	N(NC[5])(O)2	117.6760	0.000	1	117.6760	0.000	1	116.2484	1.041	27	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	N[5]-3:N[5]-3:N-2:	N-2:O-1:O-1:	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]Co)(N[5]N[5]H)(NN)	N(NC[5])(O)2	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]Co)(N[5]N[5]H)(NN){1|C<4>}	N(NC[5])(O)2	116.3920	0.000	1	116.3920	0.000	1	116.2484	1.041	27	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	N[5]-3:N[5]-3:N-2:	N-2:O-1:O-1:	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]Fe)(N[5]N[5]H)(NN)	N(NC[5])(O)2	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]Fe)(N[5]N[5]H)(NN){1|C<3>}	N(NC[5])(O)2	118.4180	0.000	1	118.4180	0.000	1	116.2484	1.041	27	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	N[5]-3:N[5]-3:N-2:	N-2:O-1:O-1:	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]H)(N[5]C[5]N)(NN)	N(NC[5])(O)2	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]H)(N[5]C[5]N)(NN){4|H<1>}	N(NC[5])(O)2	115.7490	0.000	1	115.7490	0.000	1	116.2484	1.041	27	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	N[5]-3:N[5]-3:N-2:	N-2:O-1:O-1:	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]H)(N[5]N[5]C)(NN)	N(NC[5])(O)2	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]H)(N[5]N[5]C)(NN){1|N<2>}	N(NC[5])(O)2	115.8580	0.000	1	115.8580	0.000	1	116.2484	1.041	27	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	N[5]-3:N[5]-3:N-2:	N-2:O-1:O-1:	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]H)(N[5]N[5]H)(NN)	N(NC[5])(O)2	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]H)(N[5]N[5]H)(NN){1|C<3>}	N(NC[5])(O)2	115.8846	0.610	8	116.0818	0.475	10	116.2484	1.041	27	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	N[5]-3:N[5]-3:N-2:	N-2:O-1:O-1:	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]H)(N[5]N[5]H)(NN)	N(NC[5])(O)2	N(C[5]N[5]2)(NOO)	C[5](N[5]C[5]H)(N[5]N[5]H)(NN){1|C<4>}	N(NC[5])(O)2	116.8705	0.339	2	116.0818	0.475	10	116.2484	1.041	27	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	N[5]-3:N[5]-3:N-2:	N-2:O-1:O-1:	N(C[5]N[5]2)(NOO)	C[5](N[5]N[5]C)(N[5]N[5]H)(NN)	N(NC[5])(O)2	N(C[5]N[5]2)(NOO)	C[5](N[5]N[5]C)(N[5]N[5]H)(NN)	N(NC[5])(O)2	115.2357	0.325	4	115.2357	0.106	4	116.2484	1.041	27	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	N[5]-3:N[5]-3:N-2:	N-2:O-1:O-1:	N(C[5]N[5]2)(NOO)	C[5](N[5]N[5]H)(N[5]N[5]O)(NN)	N(NC[5])(O)2	N(C[5]N[5]2)(NOO)	C[5](N[5]N[5]H)(N[5]N[5]O)(NN)	N(NC[5])(O)2	114.4270	0.000	1	114.4270	0.000	1	116.2484	1.041	27	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:1:1:	C[5]-3:N-3:	N[5]-3:N[5]-3:N-2:	N-2:O-1:O-1:	N(C[5]N[5]2)(NOO)	C[5](N[5]N[5]H)2(NN)	N(NC[5])(O)2	N(C[5]N[5]2)(NOO)	C[5](N[5]N[5]H)2(NN)	N(NC[5])(O)2	115.2570	0.000	1	115.2570	0.000	1	116.2484	1.041	27	116.2344	2.394	35	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:3:1:	C[5]-3:N-3:	C[5,6a]-3:C[5,6a]-3:N-2:	N-2:C-3:H-1:	N(C[5]C[5,6a]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	N(NC[5])(COO)(H)	N(C[5]C[5,6a]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	N(NC[5])(COO)(H)	118.7030	0.000	1	118.7030	0.000	1	118.7030	0.000	1	117.2845	1.466	44	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:3:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	N-2:C-3:H-1:	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NN)	N(NC[5])(CNS)(H)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NN){1|H<1>,3|C<3>}	N(NC[5])(CNS)(H)	117.2660	1.887	4	117.2660	3.560	4	117.2515	1.452	43	117.2845	1.466	44	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:3:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	N-2:C-3:H-1:	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NN)	N(NC[5])(CNS)(H)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NN){1|H<1>,3|C<3>}	N(NC[5])(CNS)(H)	116.9410	0.000	1	116.9410	0.000	1	117.2515	1.452	43	117.2845	1.466	44	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:3:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	N-2:C-3:H-1:	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(NC[5])(CCO)(H)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	N(NC[5])(CCO)(H)	118.8300	3.738	2	118.8300	13.971	2	117.2515	1.452	43	117.2845	1.466	44	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:3:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	N-2:C-3:H-1:	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(NC[5])(CNS)(H)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|C<4>,1|H<1>,2|C<3>}	N(NC[5])(CNS)(H)	116.1400	0.378	3	117.1807	0.909	35	117.2515	1.452	43	117.2845	1.466	44	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:3:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	N-2:C-3:H-1:	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(NC[5])(CNS)(H)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|H<1>,2|C<3>}	N(NC[5])(CNS)(H)	116.4490	0.000	1	117.1807	0.909	35	117.2515	1.452	43	117.2845	1.466	44	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:3:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	N-2:C-3:H-1:	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(NC[5])(CNS)(H)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	N(NC[5])(CNS)(H)	117.3050	0.937	31	117.1807	0.909	35	117.2515	1.452	43	117.2845	1.466	44	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:3:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	N-2:C-3:H-1:	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(NC[5])(CSS)(H)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	N(NC[5])(CSS)(H)	116.8270	0.000	1	116.8270	0.000	1	117.2515	1.452	43	117.2845	1.466	44	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	2:4:1:	C[5]-3:N-3:	C[5,6a]-3:C[5,6a]-3:N-2:	N-2:C-4:H-1:	N(C[5]C[5,6a]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	N(NC[5])(CHHP)(H)	N(C[5]C[5,6a]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	N(NC[5])(CHHP)(H)	121.9670	0.481	2	121.9670	0.231	2	121.9670	0.231	2	121.9670	0.231	2	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5,6a]-3:C[5,6a]-3:N-2:	B-3:N-2:H-1:	N(C[5]C[5,6a]2)(NBH)	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	N(BC[6a]2)(NC[5])(H)	N(C[5]C[5,6a]2)(NBH)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	N(BC[6a]2)(NC[5])(H)	118.6050	0.000	1	118.6050	0.000	1	118.6050	0.000	1	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5,6a]-3:C[5,6a]-3:N-2:	C-3:N-2:H-1:	N(C[5]C[5,6a]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	N(CC[6a]O)(NC[5])(H)	N(C[5]C[5,6a]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|C<3>,2|H<1>,2|N<2>}	N(CC[6a]O)(NC[5])(H)	119.4470	0.000	1	119.4470	0.000	1	119.4470	0.000	1	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[5]C[5,6a]2)(NC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(NN)	N(C[5a]N[5a]S[5a])(NC[5])(H)	N(C[5]C[5,6a]2)(NC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(NN){1|H<1>,1|N<2>,3|C<3>}	N(C[5a]N[5a]S[5a])(NC[5])(H)	115.4390	0.000	1	115.4390	0.000	1	115.4390	0.000	1	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	C-3:N-2:H-1:	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(CC[5a]O)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	N(CC[5a]O)(NC[5])(H)	115.5480	0.000	1	115.5480	0.000	1	115.2286	0.665	18	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	C-3:N-2:H-1:	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(CC[6a]O)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|C<4>,1|H<1>,2|C<3>}	N(CC[6a]O)(NC[5])(H)	115.5757	0.597	6	115.3016	0.860	12	115.2286	0.665	18	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	C-3:N-2:H-1:	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(CC[6a]O)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	N(CC[6a]O)(NC[5])(H)	115.0275	1.164	6	115.3016	0.860	12	115.2286	0.665	18	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	C-3:N-2:H-1:	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(CN[5]S)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|C<4>,1|H<1>,2|C<3>}	N(CN[5]S)(NC[5])(H)	115.0697	0.650	4	114.9896	0.349	5	115.2286	0.665	18	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	C-3:N-2:H-1:	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(CN[5]S)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	N(CN[5]S)(NC[5])(H)	114.6690	0.000	1	114.9896	0.349	5	115.2286	0.665	18	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[5]C[5,6a]C[5])(NC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(C[5a]N[5a]S[5a])(NC[5])(H)	N(C[5]C[5,6a]C[5])(NC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(NC[5])(H)	118.1210	0.000	1	118.1210	0.000	1	118.1210	0.000	1	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5,6a]C[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NN){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(NC[5])(H)	118.1700	0.000	1	118.1700	0.000	1	117.5907	0.361	6	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5,6a]C[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[5])(H)	117.6160	0.000	1	117.4748	0.351	5	117.5907	0.361	6	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5,6a]C[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(NC[5])(H)	116.7730	0.000	1	117.4748	0.351	5	117.5907	0.361	6	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5,6a]C[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	117.6617	0.627	3	117.4748	0.351	5	117.5907	0.361	6	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5,6a]-3:N[5]-3:N-2:	C-3:N-2:H-1:	N(C[5]C[5,6a]N[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(NN)	N(CC[6a]O)(NC[5])(H)	N(C[5]C[5,6a]N[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(NN){2|C<3>,3|H<1>}	N(CC[6a]O)(NC[5])(H)	116.9640	0.000	1	116.9640	0.000	1	116.9640	0.000	1	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5]-3:C[5]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[5]C[5]2)(NC[5a]H)	C[5](C[5]C[5,6a]O)2(NN)	N(C[5a]N[5a]S[5a])(NC[5])(H)	N(C[5]C[5]2)(NC[5a]H)	C[5](C[5]C[5,6a]O)2(NN){2|C<3>}	N(C[5a]N[5a]S[5a])(NC[5])(H)	117.3435	0.303	2	117.3435	0.092	2	117.3435	0.092	2	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]C[5,5a]O)(C[5]N[5,5a]O)(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]C[5,5a]O)(C[5]N[5,5a]O)(NN){2|C<3>}	N(C[6a]C[6a]2)(NC[5])(H)	119.2790	0.000	1	119.2790	0.000	1	117.8029	1.328	30	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]C[5,6a]O)2(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]C[5,6a]O)2(NN){2|C<3>}	N(C[6a]C[6a]2)(NC[5])(H)	118.7190	0.000	1	118.7190	0.000	1	117.8029	1.328	30	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]C[5]C)(C[5]O[5]O)(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]C[5]C)(C[5]O[5]O)(NN){1|C<3>}	N(C[6a]C[6a]2)(NC[5])(H)	117.1320	0.000	1	117.1320	0.000	1	117.8029	1.328	30	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]C[5]O)(C[5]O[5]O)(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]C[5]O)(C[5]O[5]O)(NN){1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	115.2930	0.000	1	115.2930	0.000	1	117.8029	1.328	30	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]N[5]C)(C[5]N[5]O)(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]N[5]C)(C[5]N[5]O)(NN){1|C<3>}	N(C[6a]C[6a]2)(NC[5])(H)	117.7202	0.836	19	117.6127	0.909	21	117.8029	1.328	30	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]N[5]C)(C[5]N[5]O)(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]N[5]C)(C[5]N[5]O)(NN){1|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	116.5915	1.811	2	117.6127	0.909	21	117.8029	1.328	30	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]N[5]C)(C[5]O[5]O)(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]N[5]C)(C[5]O[5]O)(NN)	N(C[6a]C[6a]2)(NC[5])(H)	119.2627	1.263	3	119.2627	1.596	3	117.8029	1.328	30	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]N[5]N)(C[5]N[5]O)(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]N[5]N)(C[5]N[5]O)(NN){1|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	118.0045	0.370	2	118.0045	0.137	2	117.8029	1.328	30	117.0001	2.369	61	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	3:2:4:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[5]C[5,6a]C[5])(NC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(C[6a]C[6a]2)(NC[5])(CCHH)	N(C[5]C[5,6a]C[5])(NC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5])(CCHH)	129.6500	0.000	1	129.6500	0.000	1	129.6500	0.000	1	129.6500	0.000	1	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	4:2:1:	C[5]-3:N-3:	C[5,6a]-3:C[5,6a]-3:N-2:	S-4:N-2:H-1:	N(C[5]C[5,6a]2)(NHS)	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5,6a]2)(NHS)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	N(SC[6a]OO)(NC[5])(H)	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	115.9590	4.056	2	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:3:2:	4:2:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	S-4:N-2:H-1:	N(C[5]C[5,6a]C[5])(NHS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NHS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	N(SC[6a]OO)(NC[5])(H)	117.3830	0.000	1	117.3830	0.000	1	117.3830	0.000	1	115.9590	4.056	2	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	3:4:2:	2:3:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-4:N-2:	N-2:C-3:H-1:	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NN)	N(NC[5])(COO)(H)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NN){2|C<3>,3|H<1>}	N(NC[5])(COO)(H)	117.3850	0.000	1	117.3850	0.000	1	117.3850	0.000	1	117.3850	0.000	1	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	4:3:2:	3:2:1:	C[5]-3:N-3:	C[4,5]-4:C[5,6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5,6a]C[4,5])(NC[6a]H)	C[5](C[4,5]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5,6a]C[4,5])(NC[6a]H)	C[5](C[4,5]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(NN){1|C<4>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	116.5340	0.000	1	116.5340	0.000	1	116.5340	0.000	1	115.0800	0.748	5	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	4:3:2:	3:2:1:	C[5]-3:N-3:	C[5]-4:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NN){1|C<3>,3|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	114.9315	0.302	2	114.7165	0.116	4	114.7165	0.116	4	115.0800	0.748	5	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	4:3:2:	3:2:1:	C[5]-3:N-3:	C[5]-4:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NN){4|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	114.5015	0.268	2	114.7165	0.116	4	114.7165	0.116	4	115.0800	0.748	5	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	4:3:2:	4:3:2:	C[5]-3:N-3:	C[5]-4:N[5]-3:N-2:	C-4:C[6a]-3:N-2:	N(C[5]C[5]N[5])(NC[6a]C)	C[5](C[5]C[5]HH)(N[5]C[5]2)(NN)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(NC[5])	N(C[5]C[5]N[5])(NC[6a]C)	C[5](C[5]C[5]HH)(N[5]C[5]2)(NN){1|C<3>,1|C<4>,4|H<1>}	N(CC[6a]C[5]H)(C[6a]C[6a]2)(NC[5])	128.9820	0.000	1	128.9820	0.000	1	128.9820	0.000	1	128.9820	0.000	1	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	4:4:2:	2:3:1:	C[5]-3:N-3:	C[5]-4:C[5]-4:N-2:	N-2:C-3:H-1:	N(C[5]C[5]2)(NCH)	C[5](C[5]C[5]HH)2(NN)	N(NC[5])(CNO)(H)	N(C[5]C[5]2)(NCH)	C[5](C[5]C[5]HH)2(NN){4|H<1>}	N(NC[5])(CNO)(H)	116.3215	0.332	2	116.3215	0.110	2	116.9434	0.376	5	116.9434	0.376	5	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	4:4:2:	2:3:1:	C[5]-3:N-3:	C[5]-4:C[5]-4:N-2:	N-2:C-3:H-1:	N(C[5]C[5]2)(NCH)	C[5](C[5]C[5]HH)2(NN)	N(NC[5])(CNS)(H)	N(C[5]C[5]2)(NCH)	C[5](C[5]C[5]HH)2(NN){4|H<1>}	N(NC[5])(CNS)(H)	117.3580	0.227	3	117.3580	0.052	3	116.9434	0.376	5	116.9434	0.376	5	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	4:4:2:	3:2:1:	C[5]-3:N-3:	C[5,5]-4:C[5,6]-4:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5,5]C[5,6])(NC[6a]H)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6]C[5,6]C[6]H)(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5,5]C[5,6])(NC[6a]H)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6]C[5,6]C[6]H)(NN){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	116.3090	0.000	1	116.3090	0.000	1	116.3090	0.000	1	115.4014	1.202	20	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	4:4:2:	3:2:1:	C[5]-3:N-3:	C[5,5]-4:C[5]-4:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5,5]C[5])(NC[6a]H)	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]C[5,6]HH)(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5,5]C[5])(NC[6a]H)	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]C[5,6]HH)(NN){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(NC[5])(H)	114.6890	0.000	1	114.6890	0.000	1	114.6890	0.000	1	115.4014	1.202	20	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	4:4:2:	3:2:1:	C[5]-3:N-3:	C[5,6]-4:C[5]-4:N-2:	C-3:N-2:H-1:	N(C[5]C[5,6]C[5])(NCH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(NN)	N(CC[6a]O)(NC[5])(H)	N(C[5]C[5,6]C[5])(NCH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(NN){3|C<4>,4|H<1>}	N(CC[6a]O)(NC[5])(H)	114.8015	0.852	8	114.8015	0.726	8	114.8015	0.726	8	115.4014	1.202	20	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	4:4:2:	3:2:1:	C[5]-3:N-3:	C[5]-4:C[5]-4:N-2:	C-3:N-2:H-1:	N(C[5]C[5]2)(NCH)	C[5](C[5]C[5]HH)2(NN)	N(CC[6a]O)(NC[5])(H)	N(C[5]C[5]2)(NCH)	C[5](C[5]C[5]HH)2(NN){4|H<1>}	N(CC[6a]O)(NC[5])(H)	116.3960	0.000	1	116.3960	0.000	1	116.3960	0.000	1	115.4014	1.202	20	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	4:4:2:	3:2:1:	C[5]-3:N-3:	C[5]-4:C[5]-4:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]C[5]HH)2(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]C[5]HH)2(NN){4|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	117.3440	0.000	1	117.3440	0.000	1	115.8024	1.389	9	115.4014	1.202	20	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	4:4:2:	3:2:1:	C[5]-3:N-3:	C[5]-4:C[5]-4:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]C[5]HH)2(NN)	N(C[6a]C[6a]N[6a])(NC[5])(H)	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]C[5]HH)2(NN){4|H<1>}	N(C[6a]C[6a]N[6a])(NC[5])(H)	117.0385	0.934	2	117.0385	0.873	2	115.8024	1.389	9	115.4014	1.202	20	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	4:4:2:	3:2:1:	C[5]-3:N-3:	C[5]-4:C[5]-4:N-2:	C[6a]-3:N-2:H-1:	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(NN)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5]2)(NC[6a]H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(NN){2|C<3>,4|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	115.1335	0.651	6	115.1335	0.424	6	115.8024	1.389	9	115.4014	1.202	20	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	4:4:2:	4:2:1:	C[5]-3:N-3:	C[5]-4:C[5]-4:N-2:	S-4:N-2:H-1:	N(C[5]C[5]2)(NHS)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NN)	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5]2)(NHS)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NN){1|H<1>,1|O<1>}	N(SC[6a]OO)(NC[5])(H)	115.2830	0.000	1	115.2830	0.000	1	115.2180	0.008	2	115.2180	0.008	2	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP2	N	C[5]	N	3:3:	4:4:2:	4:2:1:	C[5]-3:N-3:	C[5]-4:C[5]-4:N-2:	S-4:N-2:H-1:	N(C[5]C[5]2)(NHS)	C[5](C[5]C[5]HH)2(NN)	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5]2)(NHS)	C[5](C[5]C[5]HH)2(NN){4|H<1>}	N(SC[6a]OO)(NC[5])(H)	115.1530	0.000	1	115.1530	0.000	1	115.2180	0.008	2	115.2180	0.008	2	116.7718	4.371	195	116.7226	4.174	209
941	818	956	0:SP2_SP2_SP3	N	C[5]	N	3:3:	2:2:2:	3:2:1:	C[5]-3:N-3:	S[5]-2:S[5]-2:N-2:	C-3:N-2:H-1:	N(C[5]S[5]2)(NCH)	C[5](S[5]C[5])2(NN)	N(CC[6a]O)(NC[5])(H)	N(C[5]S[5]2)(NCH)	C[5](S[5]C[5])2(NN){4|H<1>}	N(CC[6a]O)(NC[5])(H)	113.2265	2.159	2	113.2265	4.660	2	113.2265	4.660	2	113.2265	4.660	2	115.0324	6.363	7	115.0324	6.363	7
941	818	956	0:SP2_SP2_SP3	N	C[5]	N	3:3:	2:2:2:	3:2:4:	C[5]-3:N-3:	S[5]-2:S[5]-2:N-2:	C-3:N-2:C-4:	N(C[5]S[5]2)(NCC)	C[5](S[5]C[5])2(NN)	N(CC[6a]O)(NC[5])(CH3)	N(C[5]S[5]2)(NCC)	C[5](S[5]C[5])2(NN){4|H<1>}	N(CC[6a]O)(NC[5])(CH3)	111.9110	0.000	1	111.9110	0.000	1	111.9110	0.000	1	111.9110	0.000	1	115.0324	6.363	7	115.0324	6.363	7
941	818	956	0:SP2_SP2_SP3	N	C[5]	N	3:3:	3:2:2:	2:1:1:	C[5]-3:N-3:	N[5]-3:S[5]-2:N-2:	N-2:H-1:H-1:	N(C[5]N[5]S[5])(NHH)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NN)	N(NC[5])(H)2	N(C[5]N[5]S[5])(NHH)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NN){2|C<3>}	N(NC[5])(H)2	116.2480	0.000	1	116.2480	0.000	1	116.2480	0.000	1	116.2480	0.000	1	115.0324	6.363	7	115.0324	6.363	7
941	818	956	0:SP2_SP2_SP3	N	C[5]	N	3:3:	3:3:2:	3:2:1:	C[5]-3:N-3:	C[5,6a]-3:C[5,6a]-3:N-2:	C-3:N-2:H-1:	N(C[5]C[5,6a]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	N(CC[6a]O)(NC[5])(H)	N(C[5]C[5,6a]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|C<3>,2|H<1>,2|N<2>}	N(CC[6a]O)(NC[5])(H)	115.2490	0.000	1	115.2490	0.000	1	115.2490	0.000	1	115.2490	0.000	1	115.0324	6.363	7	115.0324	6.363	7
941	818	956	0:SP2_SP2_SP3	N	C[5]	N	3:3:	3:3:2:	3:3:2:	C[5]-3:N-3:	C[5,6a]-3:C[5,6a]-3:N-2:	B-3:P-3:N-2:	N(C[5]C[5,6a]2)(NBP)	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	N(BC[6a]2)(PC[6a]2)(NC[5])	N(C[5]C[5,6a]2)(NBP)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	N(BC[6a]2)(PC[6a]2)(NC[5])	118.5980	0.000	1	118.5980	0.000	1	118.5980	0.000	1	118.5980	0.000	1	115.0324	6.363	7	115.0324	6.363	7
941	818	956	0:SP2_SP2_SP3	N	C[5]	N	3:3:	3:3:2:	4:2:1:	C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	S-4:N-2:H-1:	N(C[5]C[5,6a]C[5])(NHS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NHS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	N(SC[6a]OO)(NC[5])(H)	116.7680	0.000	1	116.7680	0.000	1	116.7680	0.000	1	116.7680	0.000	1	115.0324	6.363	7	115.0324	6.363	7
941	818	979	0:SP2_SP2_SP2	N	C[5]	Si	3:3:	3:3:2:	3:2:4:	C[5]-3:Si-3:	N[5]-3:N[5]-3:N-2:	Si-3:N-2:Si-4:	N(C[5]N[5]2)(SiSi2)	C[5](N[5]C[5]C)2(NSi)	Si(SiSiN)(NC[5])(SiC3)	N(C[5]N[5]2)(SiSi2)	C[5](N[5]C[5]C)2(NSi){2|H<1>}	Si(SiSiN)(NC[5])(SiC3)	152.1203	2.046	3	152.1203	4.187	3	152.1203	4.187	3	152.1203	4.187	3	152.3342	3.148	5	152.3342	3.148	5
941	818	979	0:SP2_SP2_SP2	N	C[5]	Si	3:3:	3:3:2:	4:3:2:	C[5]-3:Si-3:	N[5]-3:N[5]-3:N-2:	Si-4:Si-3:N-2:	N(C[5]N[5]2)(SiSi2)	C[5](N[5]C[5]C)2(NSi)	Si(SiSi3)(SiSiN)(NC[5])	N(C[5]N[5]2)(SiSi2)	C[5](N[5]C[5]C)2(NSi){2|H<1>}	Si(SiSi3)(SiSiN)(NC[5])	152.6550	1.969	2	152.6550	3.875	2	152.6550	3.875	2	152.6550	3.875	2	152.3342	3.148	5	152.3342	3.148	5
941	818	983	0:SP2_SP1_SP2	N	C[5]	C	3:2:	3:2:2:	2:1:	C[5]-3:C-2:	N[5]-3:S[5]-2:N-2:	N-2:N-1:	N(C[5]N[5]S[5])(CN)	C[5](N[5]C[5]C)(S[5]C[5])(NC)	C(NC[5])(N)	N(C[5]N[5]S[5])(CN)	C[5](N[5]C[5]C)(S[5]C[5])(NC){4|H<1>}	C(NC[5])(N)	118.2627	0.623	12	118.2627	0.388	12	118.1989	0.355	14	118.1989	0.355	14	118.1757	0.338	15	118.1757	0.338	15
941	818	983	0:SP2_SP1_SP2	N	C[5]	C	3:2:	3:2:2:	2:1:	C[5]-3:C-2:	N[5]-3:S[5]-2:N-2:	N-2:N-1:	N(C[5]N[5]S[5])(CN)	C[5](N[5]C[5]H)(S[5]C[5])(NC)	C(NC[5])(N)	N(C[5]N[5]S[5])(CN)	C[5](N[5]C[5]H)(S[5]C[5])(NC){4|H<1>}	C(NC[5])(N)	117.8670	0.000	1	117.8670	0.000	1	118.1989	0.355	14	118.1989	0.355	14	118.1757	0.338	15	118.1757	0.338	15
941	818	983	0:SP2_SP1_SP2	N	C[5]	C	3:2:	3:2:2:	2:1:	C[5]-3:C-2:	N[5]-3:S[5]-2:N-2:	N-2:N-1:	N(C[5]N[5]S[5])(CN)	C[5](N[5]C[5]S)(S[5]C[5])(NC)	C(NC[5])(N)	N(C[5]N[5]S[5])(CN)	C[5](N[5]C[5]S)(S[5]C[5])(NC){4|H<1>}	C(NC[5])(N)	117.7650	0.000	1	117.7650	0.000	1	118.1989	0.355	14	118.1989	0.355	14	118.1757	0.338	15	118.1757	0.338	15
941	818	983	0:SP2_SP1_SP2	N	C[5]	C	3:2:	3:3:2:	2:1:	C[5]-3:C-2:	C[5,5a]-3:C[5,6a]-3:N-2:	N-2:N-1:	N(C[5]C[5,5a]C[5,6a])(CN)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(NC)	C(NC[5])(N)	N(C[5]C[5,5a]C[5,6a])(CN)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(NC){1|S<2>,2|H<1>,3|C<3>}	C(NC[5])(N)	117.8520	0.000	1	117.8520	0.000	1	117.8520	0.000	1	117.8520	0.000	1	118.1757	0.338	15	118.1757	0.338	15
941	818	992	0:SP2_SP2_SP3	N	C[5]	P	3:4:	2:3:2:	3:3:3:2:	C[5]-3:P-4:	N[5]-2:N[5]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(C[5]N[5]2)(PC[6a]3)	C[5](N[5]C[5,5])(N[5]C[5]C)(NP)	P(C[6a]C[6a]2)3(NC[5])	N(C[5]N[5]2)(PC[6a]3)	C[5](N[5]C[5,5])(N[5]C[5]C)(NP){1|C<3>,1|C<4>,1|O<1>}	P(C[6a]C[6a]2)3(NC[5])	123.5765	0.687	2	123.5765	0.471	2	123.5765	0.471	2	123.5765	0.471	2	125.9530	27.455	19	125.9530	27.455	19
941	818	992	0:SP2_SP2_SP3	N	C[5]	P	3:4:	3:2:2:	2:2:2:1:	C[5]-3:P-4:	N[5]-3:S[5]-2:N-2:	N-2:O-2:O-2:S-1:	N(C[5]N[5]S[5])(POOS)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NP)	P(NC[5])(OC)2(S)	N(C[5]N[5]S[5])(POOS)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(NP){2|C<3>}	P(NC[5])(OC)2(S)	126.7210	0.000	1	126.7210	0.000	1	126.7210	0.000	1	126.7210	0.000	1	125.9530	27.455	19	125.9530	27.455	19
941	818	992	0:SP2_SP2_SP3	N	C[5]	P	3:4:	3:2:2:	3:3:2:2:	C[5]-3:P-4:	N[5]-3:O[5]-2:N-2:	C[6a]-3:C[6a]-3:N-2:O-2:	N(C[5]N[5]O[5])(PC[6a]2O)	C[5](N[5]N[5]Ir)(O[5]C[5])(NP)	P(C[6a]C[6a]2)2(NC[5])(OIr)	N(C[5]N[5]O[5])(PC[6a]2O)	C[5](N[5]N[5]Ir)(O[5]C[5])(NP){1|C<3>}	P(C[6a]C[6a]2)2(NC[5])(OIr)	122.8530	0.000	1	122.8530	0.000	1	122.8530	0.000	1	123.5510	0.974	2	125.9530	27.455	19	125.9530	27.455	19
941	818	992	0:SP2_SP2_SP3	N	C[5]	P	3:4:	3:2:2:	3:3:2:2:	C[5]-3:P-4:	N[5]-3:S[5]-2:N-2:	C[6a]-3:C[6a]-3:N-2:S-2:	N(C[5]N[5]S[5])(PC[6a]2S)	C[5](N[5]C[5,6a]Ir)(S[5]C[5,6a])(NP)	P(C[6a]C[6a]2)2(NC[5])(SIr)	N(C[5]N[5]S[5])(PC[6a]2S)	C[5](N[5]C[5,6a]Ir)(S[5]C[5,6a])(NP){2|C<3>}	P(C[6a]C[6a]2)2(NC[5])(SIr)	124.2490	0.000	1	124.2490	0.000	1	124.2490	0.000	1	123.5510	0.974	2	125.9530	27.455	19	125.9530	27.455	19
941	818	992	0:SP2_SP2_SP3	N	C[5]	P	3:4:	3:2:2:	3:3:2:3:	C[5]-3:P-4:	N[5]-3:O[5]-2:N-2:	C[6a]-3:C[6a]-3:N-2:O-3:	N(C[5]N[5]O[5])(PC[6a]2O)	C[5](N[5]N[5]Ir)(O[5]C[5])(NP)	P(C[6a]C[6a]2)2(NC[5])(OIrH)	N(C[5]N[5]O[5])(PC[6a]2O)	C[5](N[5]N[5]Ir)(O[5]C[5])(NP){1|C<3>}	P(C[6a]C[6a]2)2(NC[5])(OIrH)	121.2570	0.000	1	121.2570	0.000	1	121.2570	0.000	1	121.2570	0.000	1	125.9530	27.455	19	125.9530	27.455	19
941	818	992	0:SP2_SP2_SP3	N	C[5]	P	3:4:	3:3:2:	2:2:3:2:	C[5]-3:P-4:	N[5]-3:N[5]-3:N-2:	N-2:N-2:N-3:N-2:	N(C[5]N[5]2)(PN3)	C[5](N[5]C[5]C)2(NP)	P(NC[5])2(NCH)(NC)	N(C[5]N[5]2)(PN3)	C[5](N[5]C[5]C)2(NP){4|H<1>}	P(NC[5])2(NCH)(NC)	124.4690	6.897	2	124.4690	47.570	2	124.4690	47.570	2	124.4690	47.570	2	125.9530	27.455	19	125.9530	27.455	19
941	818	992	0:SP2_SP2_SP3	N	C[5]	P	3:4:	3:3:2:	2:2:3:3:	C[5]-3:P-4:	N[5]-3:N[5]-3:N-2:	N-2:N-2:N-3:N-3:	N(C[5]N[5]2)(PN3)	C[5](N[5]C[5]C)2(NP)	P(NC[5])2(NCH)2	N(C[5]N[5]2)(PN3)	C[5](N[5]C[5]C)2(NP){4|H<1>}	P(NC[5])2(NCH)2	126.4170	6.824	6	126.4170	46.572	6	126.4170	46.572	6	126.4170	46.572	6	125.9530	27.455	19	125.9530	27.455	19
941	818	992	0:SP2_SP2_SP3	N	C[5]	P	3:4:	3:3:2:	2:2:4:3:	C[5]-3:P-4:	N[5]-3:N[5]-3:N-2:	N-2:N-2:C-4:C-3:	N(C[5]N[5]2)(PCCN)	C[5](N[5]C[5]C)2(NP)	P(NC[5])2(CCCH)(COO)	N(C[5]N[5]2)(PCCN)	C[5](N[5]C[5]C)2(NP){2|C<4>}	P(NC[5])2(CCCH)(COO)	125.4320	3.844	2	125.4320	14.775	2	125.4320	14.775	2	125.4320	14.775	2	125.9530	27.455	19	125.9530	27.455	19
941	818	992	0:SP2_SP2_SP3	N	C[5]	P	3:4:	3:3:2:	2:4:4:4:	C[5]-3:P-4:	N[5]-3:N[5]-3:N-2:	N-2:C-4:C-4:S-4:	N(C[5]N[5]2)(PCCS)	C[5](N[5]C[5]C)2(NP)	P(NC[5])(CCCH)2(SO3)	N(C[5]N[5]2)(PCCS)	C[5](N[5]C[5]C)2(NP){2|C<4>}	P(NC[5])(CCCH)2(SO3)	137.0300	0.000	1	137.0300	0.000	1	137.0300	0.000	1	137.0300	0.000	1	125.9530	27.455	19	125.9530	27.455	19
941	818	992	0:SP2_SP2_SP3	N	C[5]	P	3:4:	3:3:2:	3:3:2:1:	C[5]-3:P-4:	C[5,6a]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:N-2:S-1:	N(C[5]C[5,6a]C[5])(PC[6a]2S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NP)	P(C[6a]C[6a]2)2(NC[5])(S)	N(C[5]C[5,6a]C[5])(PC[6a]2S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NP){1|C<4>,1|H<1>,2|C<3>}	P(C[6a]C[6a]2)2(NC[5])(S)	130.6440	0.000	1	130.6440	0.000	1	130.6440	0.000	1	130.6440	0.000	1	125.9530	27.455	19	125.9530	27.455	19
941	818	992	0:SP2_SP2_SP3	N	C[5]	P	3:4:	4:3:2:	2:2:2:1:	C[5]-3:P-4:	C[3,5]-4:N[5]-3:N-2:	O-2:O-2:N-2:O-1:	N(C[5]C[3,5]N[5])(PO3)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(NP)	P(OC[6a])2(NC[5])(O)	N(C[5]C[3,5]N[5])(PO3)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(NP){5|H<1>}	P(OC[6a])2(NC[5])(O)	124.8960	0.000	1	124.8960	0.000	1	124.8960	0.000	1	124.8960	0.000	1	125.9530	27.455	19	125.9530	27.455	19
941	818	996	0:SP2_SP2_SP3	N	C[5]	Si[4,5]	4:3:	3:3:2:	3:3:2:4:	Si[4,5]-4:C[5]-3:	N[5]-3:N[5]-3:N-2:	P[3,4,5]-3:P[4,4,5]-3:N-2:Si-4:	N(Si[4,5]P[3,4,5]P[4,4,5]Si)(C[5]N[5]2)	C[5](N[5]C[5]C)2(NSi[4,5])	Si[4,5](P[3,4,5]P[3,4,4]P[3,4,5])(P[4,4,5]P[3,4,4]Si[4,5])(NC[5])(SiC3)	N(Si[4,5]P[3,4,5]P[4,4,5]Si)(C[5]N[5]2)	C[5](N[5]C[5]C)2(NSi[4,5]){2|H<1>}	Si[4,5](P[3,4,5]P[3,4,4]P[3,4,5])(P[4,4,5]P[3,4,4]Si[4,5])(NC[5])(SiC3){1|Si<4>,1|N<2>}	166.1940	3.598	2	166.1940	12.944	2	166.1940	12.944	2	166.1940	12.944	2	166.1940	12.944	2	152.7900	122.297	6
941	818	996	0:SP2_SP2_SP3	N	C[5]	Si[4]	4:3:	3:3:2:	2:2:2:2:	Si[4]-4:C[5]-3:	N[5]-3:N[5]-3:N-2:	O[4]-2:O[4]-2:N-2:O-2:	N(Si[4]O[4]2O)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(NSi[4])	Si[4](O[4]C[4])2(NC[5])(OSi)	N(Si[4]O[4]2O)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(NSi[4]){2|H<1>,4|C<3>}	Si[4](O[4]C[4])2(NC[5])(OSi){1|O<1>}	149.7455	0.310	2	149.7455	0.096	2	149.7455	0.096	2	149.7455	0.096	2	146.0880	19.847	4	152.7900	122.297	6
941	818	996	0:SP2_SP2_SP3	N	C[5]	Si[4]	4:3:	3:3:2:	2:2:4:2:	Si[4]-4:C[5]-3:	N[5]-3:N[5]-3:N-2:	O[4]-2:O[4]-2:Si-4:N-2:	N(Si[4]O[4]2Si)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(NSi[4])	Si[4](O[4]C[4])2(SiSi3)(NC[5])	N(Si[4]O[4]2Si)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(NSi[4]){2|H<1>,4|C<3>}	Si[4](O[4]C[4])2(SiSi3)(NC[5]){1|O<1>}	144.1530	0.000	1	144.1530	0.000	1	144.1530	0.000	1	144.1530	0.000	1	146.0880	19.847	4	152.7900	122.297	6
941	818	996	0:SP2_SP2_SP3	N	C[5]	Si[4]	4:3:	3:3:2:	4:3:2:4:	Si[4]-4:C[5]-3:	N[5]-3:N[5]-3:N-2:	C[4]-4:C[4]-3:N-2:Si-4:	N(Si[4]C[4]2Si)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(NSi[4])	Si[4](C[4]C[6a]C[4]H)(C[4]C[4]H)(NC[5])(SiC3)	N(Si[4]C[4]2Si)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(NSi[4]){2|H<1>,4|C<3>}	Si[4](C[4]C[6a]C[4]H)(C[4]C[4]H)(NC[5])(SiC3){1|H<1>,2|C<3>}	140.7080	0.000	1	140.7080	0.000	1	140.7080	0.000	1	140.7080	0.000	1	146.0880	19.847	4	152.7900	122.297	6
941	846	893	0:SP2_SP2_SP2	N	C[4]	O	3:2:	3:3:2:	2:4:	C[4]-3:O-2:	C[4]-3:N[4]-3:N-2:	N-2:C-4:	N(C[4]C[4]N[4])(OC)	C[4](C[4]C[4]C)(N[4]C[4]C)(NO)	O(NC[4])(CH3)	N(C[4]C[4]N[4])(OC)	C[4](C[4]C[4]C)(N[4]C[4]C)(NO){1|O<1>}	O(NC[4])(CH3)	108.8955	1.544	2	108.8955	2.383	2	108.8955	2.383	2	108.8955	2.383	2	108.8955	2.383	2	108.8955	2.383	2
941	846	941	0:SP2_SP2_SP2	N	C[4]	N	3:2:	4:4:2:	3:2:	C[4]-3:N-2:	C[4]-4:C[4]-4:N-2:	C-3:N-2:	N(C[4]C[4]2)(NC)	C[4](C[4]C[4]HH)2(NN)	N(CC[6a]O)(NC[4])	N(C[4]C[4]2)(NC)	C[4](C[4]C[4]HH)2(NN){2|H<1>}	N(CC[6a]O)(NC[4])	112.2670	0.000	1	112.2670	0.000	1	112.2670	0.000	1	112.2670	0.000	1	112.2670	0.000	1	112.2670	0.000	1
941	846	952	0:SP2_SP2_SP3	N	C[4,6]	S	3:4:	4:4:2:	3:2:1:1:	C[4,6]-3:S-4:	C[4,6,6]-4:C[4,6,6]-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[4,6]C[4,6,6]2)(SC[6a]OO)	C[4,6](C[4,6,6]C[4,6]C[6,6]C)(C[4,6,6]C[4,6]C[6,6]H)(NS)	S(C[6a]C[6a]2)(NC[4,6])(O)2	N(C[4,6]C[4,6,6]2)(SC[6a]OO)	C[4,6](C[4,6,6]C[4,6]C[6,6]C)(C[4,6,6]C[4,6]C[6,6]H)(NS){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	S(C[6a]C[6a]2)(NC[4,6])(O)2	115.7180	0.000	1	117.2295	4.569	2	117.2295	4.569	2	117.2295	4.569	2	117.2295	4.569	2	118.9890	2.525	8
941	846	952	0:SP2_SP2_SP3	N	C[4,6]	S	3:4:	4:4:2:	3:2:1:1:	C[4,6]-3:S-4:	C[4,6,6]-4:C[4,6,6]-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[4,6]C[4,6,6]2)(SC[6a]OO)	C[4,6](C[4,6,6]C[4,6]C[6,6]C)(C[4,6,6]C[4,6]C[6,6]H)(NS)	S(C[6a]C[6a]2)(NC[4,6])(O)2	N(C[4,6]C[4,6,6]2)(SC[6a]OO)	C[4,6](C[4,6,6]C[4,6]C[6,6]C)(C[4,6,6]C[4,6]C[6,6]H)(NS){1|N<3>,2|C<3>,4|H<1>}	S(C[6a]C[6a]2)(NC[4,6])(O)2	118.7410	0.000	1	117.2295	4.569	2	117.2295	4.569	2	117.2295	4.569	2	117.2295	4.569	2	118.9890	2.525	8
941	846	952	0:SP2_SP2_SP3	N	C[4]	S	3:4:	3:3:2:	3:2:1:1:	C[4]-3:S-4:	C[4]-3:C[4]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[4]C[4]2)(SC[6a]OO)	C[4](C[4]C[4]C)2(NS)	S(C[6a]C[6a,6a]C[6a])(NC[4])(O)2	N(C[4]C[4]2)(SC[6a]OO)	C[4](C[4]C[4]C)2(NS){1|O<1>}	S(C[6a]C[6a,6a]C[6a])(NC[4])(O)2	121.0000	0.000	1	121.0000	0.000	1	121.0000	0.000	1	121.0000	0.000	1	119.5755	0.971	6	118.9890	2.525	8
941	846	952	0:SP2_SP2_SP3	N	C[4]	S	3:4:	4:3:2:	3:2:1:1:	C[4]-3:S-4:	C[4]-4:N[4]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[4]C[4]N[4])(SC[6a]OO)	C[4](C[4]C[6a]C[4]H)(N[4]C[4]C)(NS)	S(C[6a]C[6a]2)(NC[4])(O)2	N(C[4]C[4]N[4])(SC[6a]OO)	C[4](C[4]C[6a]C[4]H)(N[4]C[4]C)(NS){1|C<2>,3|C<3>}	S(C[6a]C[6a]2)(NC[4])(O)2	119.8680	0.000	1	119.4925	0.282	2	119.0385	0.382	4	119.0385	0.382	4	119.5755	0.971	6	118.9890	2.525	8
941	846	952	0:SP2_SP2_SP3	N	C[4]	S	3:4:	4:3:2:	3:2:1:1:	C[4]-3:S-4:	C[4]-4:N[4]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[4]C[4]N[4])(SC[6a]OO)	C[4](C[4]C[6a]C[4]H)(N[4]C[4]C)(NS)	S(C[6a]C[6a]2)(NC[4])(O)2	N(C[4]C[4]N[4])(SC[6a]OO)	C[4](C[4]C[6a]C[4]H)(N[4]C[4]C)(NS){4|C<3>}	S(C[6a]C[6a]2)(NC[4])(O)2	119.1170	0.000	1	119.4925	0.282	2	119.0385	0.382	4	119.0385	0.382	4	119.5755	0.971	6	118.9890	2.525	8
941	846	952	0:SP2_SP2_SP3	N	C[4]	S	3:4:	4:3:2:	3:2:1:1:	C[4]-3:S-4:	C[4]-4:N[4]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[4]C[4]N[4])(SC[6a]OO)	C[4](C[4]C[6a]C[4]H)(N[4]C[4]C[6])(NS)	S(C[6a]C[6a]2)(NC[4])(O)2	N(C[4]C[4]N[4])(SC[6a]OO)	C[4](C[4]C[6a]C[4]H)(N[4]C[4]C[6])(NS){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	S(C[6a]C[6a]2)(NC[4])(O)2	118.5845	0.202	2	118.5845	0.041	2	119.0385	0.382	4	119.0385	0.382	4	119.5755	0.971	6	118.9890	2.525	8
941	846	952	0:SP2_SP2_SP3	N	C[4]	S	3:4:	4:4:2:	3:2:1:1:	C[4]-3:S-4:	C[4,5]-4:C[4]-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[4]C[4,5]C[4])(SC[6a]OO)	C[4](C[4,5]C[4,5]C[5]C)(C[4]C[4,5]HH)(NS)	S(C[6a]C[6a]2)(NC[4])(O)2	N(C[4]C[4,5]C[4])(SC[6a]OO)	C[4](C[4,5]C[4,5]C[5]C)(C[4]C[4,5]HH)(NS){1|O<2>,2|C<4>,2|H<1>}	S(C[6a]C[6a]2)(NC[4])(O)2	120.2990	0.000	1	120.2990	0.000	1	120.2990	0.000	1	120.2990	0.000	1	119.5755	0.971	6	118.9890	2.525	8
941	849	849	0:SP2_SP3_SP3	N	P[3x6]	P[3x6]	4:4:	3:3:3:2:	3:3:3:2:	P[3x6]-4:P[3x6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:N-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:N-2:	N(P[3x6]C[6,6,6a]3)2	P[3x6](C[6,6,6a]C[6,6a]2)3(NP[3x6])	P[3x6](C[6,6,6a]C[6,6a]2)3(NP[3x6])	N(P[3x6]C[6,6,6a]3)2	P[3x6](C[6,6,6a]C[6,6a]2)3(NP[3x6]){3|O<2>,6|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3(NP[3x6]){3|O<2>,6|C<3>}	136.4850	0.000	1	136.4850	0.000	1	136.4850	0.000	1	136.4850	0.000	1	136.4850	0.000	1	132.6295	29.730	2
941	849	849	0:SP2_SP3_SP3	N	P[6]	P[6]	4:4:	2:3:2:2:	2:3:2:2:	P[6]-4:P[6]-4:	O[6]-2:N[6]-3:N-2:N-2:	O[6]-2:N[6]-3:N-2:N-2:	N(P[6]N[6]O[6]N)2	P[6](O[6]C[6,6a])(N[6]C[6]C)(NP[6])(NP)	P[6](O[6]C[6,6a])(N[6]C[6]C)(NP[6])(NP)	N(P[6]N[6]O[6]N)2	P[6](O[6]C[6,6a])(N[6]C[6]C)(NP[6])(NP){2|C<3>,2|H<1>}	P[6](O[6]C[6,6a])(N[6]C[6]C)(NP[6])(NP){2|C<3>,2|H<1>}	128.7740	0.000	1	128.7740	0.000	1	128.7740	0.000	1	128.7740	0.000	1	128.7740	0.000	1	132.6295	29.730	2
941	849	930	0:SP2_SP2_SP3	N	P[6]	C	4:3:	2:2:2:1:	3:2:1:	P[6]-4:C-3:	O[6]-2:O[6]-2:N-2:Se-1:	C[6a]-3:N-2:O-1:	N(P[6]O[6]2Se)(CC[6a]O)	P[6](O[6]C[6])2(NC)(Se)	C(C[6a]C[6a]2)(NP[6])(O)	N(P[6]O[6]2Se)(CC[6a]O)	P[6](O[6]C[6])2(NC)(Se){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NP[6])(O)	125.1500	0.000	1	125.1500	0.000	1	125.1500	0.000	1	125.1500	0.000	1	128.2238	9.851	5	128.2238	9.851	5
941	849	930	0:SP2_SP2_SP3	N	P[6]	C	4:3:	2:2:2:2:	2:3:3:	P[6]-4:C-3:	N[6]-2:N[6]-2:N-2:N-2:	N-2:N-3:N-3:	N(P[6]N[6]2N)(CNN)	P[6](N[6]C[6])2(NC)2	C(NP[6])(NCC)2	N(P[6]N[6]2N)(CNN)	P[6](N[6]C[6])2(NC)2{1|N<2>,2|N<3>}	C(NP[6])(NCC)2	129.7325	5.031	2	128.9922	9.198	4	128.9922	9.198	4	128.9922	9.198	4	128.2238	9.851	5	128.2238	9.851	5
941	849	930	0:SP2_SP2_SP3	N	P[6]	C	4:3:	2:2:2:2:	2:3:3:	P[6]-4:C-3:	N[6]-2:N[6]-2:N-2:N-2:	N-2:N-3:N-3:	N(P[6]N[6]2N)(CNN)	P[6](N[6]C[6])2(NC)2	C(NP[6])(NCC)2	N(P[6]N[6]2N)(CNN)	P[6](N[6]C[6])2(NC)2{2|Cl<1>,1|N<2>}	C(NP[6])(NCC)2	128.2520	0.298	2	128.9922	9.198	4	128.9922	9.198	4	128.9922	9.198	4	128.2238	9.851	5	128.2238	9.851	5
941	849	951	0:SP2_SP-NON_SP3	N	P[6]	H	4:1:	2:2:3:2:	2:	P[6]-4:H-1:	N[6]-2:N[6]-2:N-3:N-2:	N-2:	N(P[6]N[6]2N)(H)	P[6](N[6]P[6])2(NHH)(NH)	H(NP[6])	N(P[6]N[6]2N)(H)	P[6](N[6]P[6])2(NHH)(NH){1|N<2>,4|O<2>}	H(NP[6])	117.9000	0.000	1	117.9000	0.000	1	117.9000	0.000	1	117.9000	0.000	1	117.9000	0.000	1	117.9000	0.000	1
941	849	952	0:SP2_SP3_SP3	N	P[3x6]	S	4:4:	3:3:3:2:	3:2:1:1:	P[3x6]-4:S-4:	N[6,6]-3:N[6,6]-3:N[6,6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(P[3x6]N[6,6]3)(SC[6a]OO)	P[3x6](N[6,6]C[6,6]C)3(NS)	S(C[6a]C[6a]2)(NP[3x6])(O)2	N(P[3x6]N[6,6]3)(SC[6a]OO)	P[3x6](N[6,6]C[6,6]C)3(NS){1|C<4>,6|H<1>}	S(C[6a]C[6a]2)(NP[3x6])(O)2	131.6400	0.000	1	131.6400	0.000	1	131.6400	0.000	1	131.6400	0.000	1	131.6400	0.000	1	131.6400	0.000	1
941	849	992	0:SP2_SP3_SP3	N	P[3x6]	P	4:4:	4:4:4:2:	2:2:2:2:	P[3x6]-4:P-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	N-2:S-2:O-2:O-2:	N(P[3x6]C[6,6]3)(POOS)	P[3x6](C[6,6]N[3x6]HH)3(NP)	P(NP[3x6])(SPd)(OC)2	N(P[3x6]C[6,6]3)(POOS)	P[3x6](C[6,6]N[3x6]HH)3(NP){1|Pd<4>,3|C<4>}	P(NP[3x6])(SPd)(OC)2	131.2115	0.936	2	131.2115	0.875	2	131.2115	0.875	2	131.2115	0.875	2	131.2115	0.875	2	134.5279	33.508	14
941	849	992	0:SP2_SP3_SP3	N	P[6]	P	4:4:	2:3:2:2:	2:2:1:1:	P[6]-4:P-4:	O[6]-2:N[6]-3:N-2:N-2:	N-2:N-2:Cl-1:Cl-1:	N(P[6]N[6]O[6]N)(PCl2N)	P[6](O[6]C[6,6a])(N[6]C[6]C)(NP[6])(NP)	P(NP[6])(NP)(Cl)2	N(P[6]N[6]O[6]N)(PCl2N)	P[6](O[6]C[6,6a])(N[6]C[6]C)(NP[6])(NP){2|C<3>,2|H<1>}	P(NP[6])(NP)(Cl)2	126.9200	0.000	1	126.9200	0.000	1	126.9200	0.000	1	126.9200	0.000	1	135.0807	37.188	12	134.5279	33.508	14
941	849	992	0:SP2_SP3_SP3	N	P[6]	P	4:4:	3:2:2:1:	2:1:1:1:	P[6]-4:P-4:	N[6]-3:N[6]-2:N-2:Cl-1:	N-2:Cl-1:Cl-1:Cl-1:	N(P[6]N[6]2Cl)(PCl3)	P[6](N[6]P[6]Ga)(N[6]C[6])(NP)(Cl)	P(NP[6])(Cl)3	N(P[6]N[6]2Cl)(PCl3)	P[6](N[6]P[6]Ga)(N[6]C[6])(NP)(Cl){2|Cl<1>,1|C<3>,1|N<2>}	P(NP[6])(Cl)3	132.4470	0.000	1	132.4470	0.000	1	132.4470	0.000	1	132.4470	0.000	1	135.0807	37.188	12	134.5279	33.508	14
941	849	992	0:SP2_SP3_SP3	N	P[6]	P	4:4:	3:2:2:2:	2:2:1:1:	P[6]-4:P-4:	N[6]-3:O[6]-2:N-2:N-2:	N-2:N-2:Cl-1:Cl-1:	N(P[6]N[6]O[6]N)(PCl2N)	P[6](N[6]C[6]C)(O[6]C[6])(NP)2	P(NP[6])(NP)(Cl)2	N(P[6]N[6]O[6]N)(PCl2N)	P[6](N[6]C[6]C)(O[6]C[6])(NP)2{1|C<4>,4|H<1>}	P(NP[6])(NP)(Cl)2	139.3755	3.376	2	139.3755	11.400	2	139.3755	11.400	2	139.3755	11.400	2	135.0807	37.188	12	134.5279	33.508	14
941	849	992	0:SP2_SP3_SP3	N	P[6]	P	4:4:	3:3:2:2:	2:2:1:1:	P[6]-4:P-4:	N[6]-3:N[6]-3:N-2:N-2:	N-2:N-2:Cl-1:Cl-1:	N(P[6]N[6]2N)(PCl2N)	P[6](N[6]C[6]C)2(NP)2	P(NP[6])2(Cl)2	N(P[6]N[6]2N)(PCl2N)	P[6](N[6]C[6]C)2(NP)2{1|C<4>,4|H<1>}	P(NP[6])2(Cl)2	136.0397	7.397	6	136.0397	54.716	6	136.0397	54.716	6	136.0397	54.716	6	135.0807	37.188	12	134.5279	33.508	14
941	849	992	0:SP2_SP3_SP3	N	P[6]	P	4:4:	3:3:2:2:	2:2:2:1:	P[6]-4:P-4:	N[6]-3:N[6]-3:N-2:N-2:	O-2:N-2:N-2:Cl-1:	N(P[6]N[6]2N)(PClNO)	P[6](N[6]C[6]C)2(NP)2	P(OC[6a])(NP[6])(NP)(Cl)	N(P[6]N[6]2N)(PClNO)	P[6](N[6]C[6]C)2(NP)2{1|C<4>,4|H<1>}	P(OC[6a])(NP[6])(NP)(Cl)	133.3060	1.359	2	133.3060	1.847	2	133.3060	1.847	2	133.3060	1.847	2	135.0807	37.188	12	134.5279	33.508	14
941	854	930	0:SP2_SP2_SP3	N	N[6]	C	4:3:	4:4:4:2:	3:2:1:	N[6]-4:C-3:	C[6]-4:C[6]-4:C-4:N-2:	C[6a]-3:N-2:O-1:	N(N[6]C[6]2C)(CC[6a]O)	N[6](C[6]C[6]HH)2(CH3)(NC)	C(C[6a]C[6a]2)(NN[6])(O)	N(N[6]C[6]2C)(CC[6a]O)	N[6](C[6]C[6]HH)2(CH3)(NC){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(NN[6])(O)	113.7920	0.000	1	113.7920	0.000	1	113.7920	0.000	1	113.7920	0.000	1	113.7920	0.000	1	113.7920	0.000	1
941	854	952	0:SP2_SP3_SP3	N	N[6]	S	4:4:	4:4:4:2:	3:2:1:1:	N[6]-4:S-4:	C[6]-4:C[6]-4:C-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(N[6]C[6]2C)(SC[6a]OO)	N[6](C[6]C[6]HH)2(CCHH)(NS)	S(C[6a]C[6a]2)(NN[6])(O)2	N(N[6]C[6]2C)(SC[6a]OO)	N[6](C[6]C[6]HH)2(CCHH)(NS){1|O<2>,4|H<1>}	S(C[6a]C[6a]2)(NN[6])(O)2	118.5820	0.460	2	118.5820	0.211	2	118.5820	0.211	2	118.5820	0.211	2	118.5820	0.211	2	118.5820	0.211	2
941	855	983	0:SP2_SP1_SPD6	N	Si[6,6]	C	6:2:	3:3:2:2:2:2:	2:1:	Si[6,6]-6:C-2:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	N-2:O-1:	N(Si[6,6]N[6]2O[6]2N)(CO)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	C(NSi[6,6])(O)	N(Si[6,6]N[6]2O[6]2N)(CO)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	C(NSi[6,6])(O)	160.7340	4.810	2	160.7340	23.134	2	157.6923	39.322	3	159.7484	46.520	5	159.7484	46.520	5	159.7484	46.520	5
941	855	983	0:SP2_SP1_SPD6	N	Si[6,6]	C	6:2:	3:3:2:2:2:2:	2:1:	Si[6,6]-6:C-2:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	N-2:O-1:	N(Si[6,6]N[6]2O[6]2N)(CO)	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2	C(NSi[6,6])(O)	N(Si[6,6]N[6]2O[6]2N)(CO)	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2{4|C<4>,6|C<3>}	C(NSi[6,6])(O)	151.6090	0.000	1	151.6090	0.000	1	157.6923	39.322	3	159.7484	46.520	5	159.7484	46.520	5	159.7484	46.520	5
941	855	983	0:SP2_SP1_SPD6	N	Si[6,6]	C	6:2:	3:3:2:2:2:2:	2:1:	Si[6,6]-6:C-2:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	N-2:S-1:	N(Si[6,6]N[6]2O[6]2N)(CS)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	C(NSi[6,6])(S)	N(Si[6,6]N[6]2O[6]2N)(CS)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	C(NSi[6,6])(S)	168.9860	0.000	1	168.9860	0.000	1	162.8325	75.731	2	159.7484	46.520	5	159.7484	46.520	5	159.7484	46.520	5
941	855	983	0:SP2_SP1_SPD6	N	Si[6,6]	C	6:2:	3:3:2:2:2:2:	2:1:	Si[6,6]-6:C-2:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	N-2:S-1:	N(Si[6,6]N[6]2O[6]2N)(CS)	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2	C(NSi[6,6])(S)	N(Si[6,6]N[6]2O[6]2N)(CS)	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2{4|C<4>,6|C<3>}	C(NSi[6,6])(S)	156.6790	0.000	1	156.6790	0.000	1	162.8325	75.731	2	159.7484	46.520	5	159.7484	46.520	5	159.7484	46.520	5
941	856	863	0:SP2_SP2_SP2	N	N[6]	O	3:1:	4:3:2:	2:	N[6]-3:O-1:	C[6]-4:C[6]-3:N-2:	N-2:	N(N[6]C[6]2)(O)	N[6](C[6]N[6]HH)(C[6]N[6]C)(NO)	O(NN[6])	N(N[6]C[6]2)(O)	N[6](C[6]N[6]HH)(C[6]N[6]C)(NO){1|C<4>,1|N<3>}	O(NN[6])	113.7080	0.000	1	113.7080	0.000	1	113.7080	0.000	1	113.7080	0.000	1	114.4995	0.208	13	114.4995	0.208	13
941	856	863	0:SP2_SP2_SP2	N	N[6]	O	3:1:	4:4:2:	2:	N[6]-3:O-1:	C[6]-4:C[6]-4:N-2:	N-2:	N(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(NO)	O(NN[6])	N(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(NO){2|H<1>,6|C<3>}	O(NN[6])	114.3990	0.000	1	114.3990	0.000	1	114.5654	0.165	12	114.5654	0.165	12	114.4995	0.208	13	114.4995	0.208	13
941	856	863	0:SP2_SP2_SP2	N	N[6]	O	3:1:	4:4:2:	2:	N[6]-3:O-1:	C[6]-4:C[6]-4:N-2:	N-2:	N(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(NO)	O(NN[6])	N(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(NO){1|N<3>,4|H<1>}	O(NN[6])	115.5760	0.000	1	115.5760	0.000	1	114.5654	0.165	12	114.5654	0.165	12	114.4995	0.208	13	114.4995	0.208	13
941	856	863	0:SP2_SP2_SP2	N	N[6]	O	3:1:	4:4:2:	2:	N[6]-3:O-1:	C[6]-4:C[6]-4:N-2:	N-2:	N(N[6]C[6]2)(O)	N[6](C[6]C[6a]C[6]H)2(NO)	O(NN[6])	N(N[6]C[6]2)(O)	N[6](C[6]C[6a]C[6]H)2(NO){1|C<4>,3|H<1>,5|C<3>}	O(NN[6])	114.6745	0.005	2	114.4810	0.077	10	114.5654	0.165	12	114.5654	0.165	12	114.4995	0.208	13	114.4995	0.208	13
941	856	863	0:SP2_SP2_SP2	N	N[6]	O	3:1:	4:4:2:	2:	N[6]-3:O-1:	C[6]-4:C[6]-4:N-2:	N-2:	N(N[6]C[6]2)(O)	N[6](C[6]C[6a]C[6]H)2(NO)	O(NN[6])	N(N[6]C[6]2)(O)	N[6](C[6]C[6a]C[6]H)2(NO){2|C<4>,2|H<1>,5|C<3>}	O(NN[6])	114.3853	0.468	3	114.4810	0.077	10	114.5654	0.165	12	114.5654	0.165	12	114.4995	0.208	13	114.4995	0.208	13
941	856	863	0:SP2_SP2_SP2	N	N[6]	O	3:1:	4:4:2:	2:	N[6]-3:O-1:	C[6]-4:C[6]-4:N-2:	N-2:	N(N[6]C[6]2)(O)	N[6](C[6]C[6a]C[6]H)2(NO)	O(NN[6])	N(N[6]C[6]2)(O)	N[6](C[6]C[6a]C[6]H)2(NO){2|H<1>,7|C<3>}	O(NN[6])	114.4610	0.195	5	114.4810	0.077	10	114.5654	0.165	12	114.5654	0.165	12	114.4995	0.208	13	114.4995	0.208	13
941	856	901	0:SP2_SP1_SP2	N	N[6]	N	3:1:	4:4:2:	2:	N[6]-3:N-1:	Ga[6]-4:Ga[6]-4:N-2:	N-2:	N(N[6]Ga[6]2)(N)	N[6](Ga[6]N[6]CC)2(NN)	N(NN[6])	N(N[6]Ga[6]2)(N)	N[6](Ga[6]N[6]CC)2(NN){1|Ga<4>,2|N<2>}	N(NN[6])	179.1610	0.548	3	179.1610	0.301	3	179.1610	0.301	3	179.1610	0.301	3	179.1610	0.301	3	179.1610	0.301	3
941	856	909	0:SP2_SP2_SP2	N	N[6]	S	3:2:	3:2:2:	2:4:	N[6]-3:S-2:	C[6]-3:N[6]-2:N-2:	N-2:C-4:	N(N[6]C[6]N[6])(SC)	N[6](C[6]C[6a]N[6])(N[6]C[6])(NS)	S(NN[6])(CCHH)	N(N[6]C[6]N[6])(SC)	N[6](C[6]C[6a]N[6])(N[6]C[6])(NS){1|N<2>,3|C<3>}	S(NN[6])(CCHH)	112.1040	0.000	1	112.1040	0.000	1	112.1040	0.000	1	112.1040	0.000	1	112.1040	0.000	1	112.1040	0.000	1
941	856	930	0:SP2_SP2_SP2	N	N[6]	C	3:3:	3:3:2:	2:4:4:	N[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	N-2:C-4:C-4:	N(N[6]C[6]2)(CCC)	N[6](C[6]C[6]H)2(NC)	C(NN[6])(CD3)2	N(N[6]C[6]2)(CCC)	N[6](C[6]C[6]H)2(NC){1|C<3>,2|H<1>}	C(NN[6])(CD3)2	113.9407	1.251	3	113.9407	1.564	3	115.8666	15.406	5	115.8666	15.406	5	116.7718	11.646	40	116.7718	11.646	40
941	856	930	0:SP2_SP2_SP2	N	N[6]	C	3:3:	3:3:2:	2:4:4:	N[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	N-2:C-4:C-4:	N(N[6]C[6]2)(CCC)	N[6](C[6]C[6]H)2(NC)	C(NN[6])(CH3)2	N(N[6]C[6]2)(CCC)	N[6](C[6]C[6]H)2(NC){1|C<3>,2|H<1>}	C(NN[6])(CH3)2	118.7555	5.539	2	118.7555	30.678	2	115.8666	15.406	5	115.8666	15.406	5	116.7718	11.646	40	116.7718	11.646	40
941	856	930	0:SP2_SP2_SP2	N	N[6]	C	3:3:	3:3:2:	3:2:1:	N[6]-3:C-3:	C[6,6a]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[6]C[6,6a]C[6])(CC[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC)	C(C[6a]C[6a]2)(NN[6])(H)	N(N[6]C[6,6a]C[6])(CC[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NN[6])(H)	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	115.1784	7.922	20	116.7718	11.646	40	116.7718	11.646	40
941	856	930	0:SP2_SP2_SP2	N	N[6]	C	3:3:	3:3:2:	3:2:1:	N[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6,6a]O)2(NC)	C(C[6a]C[6a]2)(NN[6])(H)	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6,6a]O)2(NC){3|C<3>}	C(C[6a]C[6a]2)(NN[6])(H)	114.4130	0.158	2	114.4130	0.025	2	115.5668	7.253	18	115.1784	7.922	20	116.7718	11.646	40	116.7718	11.646	40
941	856	930	0:SP2_SP2_SP2	N	N[6]	C	3:3:	3:3:2:	3:2:1:	N[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]H)2(NC)	C(C[6a]C[6a]2)(NN[6])(H)	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NN[6])(H)	115.7110	2.832	16	115.7110	8.019	16	115.5668	7.253	18	115.1784	7.922	20	116.7718	11.646	40	116.7718	11.646	40
941	856	930	0:SP2_SP2_SP2	N	N[6]	C	3:3:	3:3:2:	3:2:1:	N[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:O-1:	N(N[6]C[6]2)(CC[6a]O)	N[6](C[6]C[6]H)2(NC)	C(C[6a]C[6a]2)(NN[6])(O)	N(N[6]C[6]2)(CC[6a]O)	N[6](C[6]C[6]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NN[6])(O)	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	115.1784	7.922	20	116.7718	11.646	40	116.7718	11.646	40
941	856	930	0:SP2_SP2_SP2	N	N[6]	C	3:3:	3:3:2:	3:2:2:	N[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6a]-3:O-2:N-2:	N(N[6]C[6]2)(CC[6a]O)	N[6](C[6]C[6]H)2(NC)	C(C[6a]C[6a]2)(OC[6a])(NN[6])	N(N[6]C[6]2)(CC[6a]O)	N[6](C[6]C[6]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(NN[6])	116.4600	0.000	1	116.4600	0.000	1	116.4600	0.000	1	114.3975	8.508	2	116.7718	11.646	40	116.7718	11.646	40
941	856	930	0:SP2_SP2_SP2	N	N[6]	C	3:3:	3:3:2:	3:2:2:	N[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	N-3:N-2:N-2:	N(N[6]C[6]2)(CNN)	N[6](C[6]C[6]H)2(NC)	C(NC[6a]H)(NN[6])(NC)	N(N[6]C[6]2)(CNN)	N[6](C[6]C[6]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a]H)(NN[6])(NC)	112.3350	0.000	1	112.3350	0.000	1	112.3350	0.000	1	114.3975	8.508	2	116.7718	11.646	40	116.7718	11.646	40
941	856	930	0:SP2_SP2_SP2	N	N[6]	C	3:3:	3:4:2:	3:2:1:	N[6]-3:C-3:	C[6]-3:B[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(N[6]B[6]C[6])(CC[6a]H)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC)	C(C[6a]C[6a,6a]C[6a])(NN[6])(H)	N(N[6]B[6]C[6])(CC[6a]H)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC){2|C<3>}	C(C[6a]C[6a,6a]C[6a])(NN[6])(H)	118.1520	0.000	1	118.1520	0.000	1	117.6200	0.566	2	117.6200	0.566	2	116.7718	11.646	40	116.7718	11.646	40
941	856	930	0:SP2_SP2_SP2	N	N[6]	C	3:3:	3:4:2:	3:2:1:	N[6]-3:C-3:	C[6]-3:B[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(N[6]B[6]C[6])(CC[6a]H)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC)	C(C[6a]C[6a]2)(NN[6])(H)	N(N[6]B[6]C[6])(CC[6a]H)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC){2|C<3>}	C(C[6a]C[6a]2)(NN[6])(H)	117.0880	0.000	1	117.0880	0.000	1	117.6200	0.566	2	117.6200	0.566	2	116.7718	11.646	40	116.7718	11.646	40
941	856	930	0:SP2_SP2_SP2	N	N[6]	C	3:3:	4:3:2:	3:2:1:	N[6]-3:C-3:	C[6]-4:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]HH)(C[6]N[6]O)(NC)	C(C[6a]C[6a]2)(NN[6])(H)	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]HH)(C[6]N[6]O)(NC){1|C<4>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(NN[6])(H)	117.8220	0.215	2	117.8220	0.046	2	119.5618	4.075	4	119.5618	4.075	4	116.7718	11.646	40	116.7718	11.646	40
941	856	930	0:SP2_SP2_SP2	N	N[6]	C	3:3:	4:3:2:	3:2:1:	N[6]-3:C-3:	C[6]-4:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	C(C[6a]C[6a]2)(NN[6])(H)	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]2)(NN[6])(H)	121.4900	0.000	1	121.3015	0.071	2	119.5618	4.075	4	119.5618	4.075	4	116.7718	11.646	40	116.7718	11.646	40
941	856	930	0:SP2_SP2_SP2	N	N[6]	C	3:3:	4:3:2:	3:2:1:	N[6]-3:C-3:	C[6]-4:C[6]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	C(C[6a]C[6a]2)(NN[6])(H)	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(NN[6])(H)	121.1130	0.000	1	121.3015	0.071	2	119.5618	4.075	4	119.5618	4.075	4	116.7718	11.646	40	116.7718	11.646	40
941	856	930	0:SP2_SP2_SP2	N	N[6]	C	3:3:	4:4:2:	2:3:1:	N[6]-3:C-3:	C[6]-4:C[6]-4:N-2:	N-2:C-3:H-1:	N(N[6]C[6]2)(CCH)	N[6](C[6]C[6]HH)2(NC)	C(NN[6])(CCC)(H)	N(N[6]C[6]2)(CCH)	N[6](C[6]C[6]HH)2(NC){1|C<4>,4|H<1>}	C(NN[6])(CCC)(H)	120.9045	0.035	2	120.9045	0.001	2	120.9045	0.001	2	120.9045	0.001	2	116.7718	11.646	40	116.7718	11.646	40
941	856	930	0:SP2_SP2_SP2	N	N[6]	C	3:3:	4:4:2:	2:4:3:	N[6]-3:C-3:	C[6]-4:C[6]-4:N-2:	N-2:C-4:C-3:	N(N[6]C[6]2)(CCC)	N[6](C[6]C[6]HH)2(NC)	C(NN[6])(CH3)(CCO)	N(N[6]C[6]2)(CCC)	N[6](C[6]C[6]HH)2(NC){1|O<2>,4|H<1>}	C(NN[6])(CH3)(CCO)	123.0540	0.000	1	123.0540	0.000	1	123.0540	0.000	1	123.0540	0.000	1	116.7718	11.646	40	116.7718	11.646	40
941	856	930	0:SP2_SP2_SP2	N	N[6]	C	3:3:	4:4:2:	3:2:1:	N[6]-3:C-3:	C[6]-4:C[6]-4:N-2:	C[5a]-3:N-2:H-1:	N(N[6]C[6]2)(CC[5a]H)	N[6](C[6]C[6]HH)2(NC)	C(C[5a]C[5a,6a]C[5a])(NN[6])(H)	N(N[6]C[6]2)(CC[5a]H)	N[6](C[6]C[6]HH)2(NC){1|N<3>,4|H<1>}	C(C[5a]C[5a,6a]C[5a])(NN[6])(H)	119.3770	0.000	1	119.3770	0.000	1	119.3770	0.000	1	120.2065	0.408	4	116.7718	11.646	40	116.7718	11.646	40
941	856	930	0:SP2_SP2_SP2	N	N[6]	C	3:3:	4:4:2:	3:2:1:	N[6]-3:C-3:	C[6]-4:C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]HH)2(NC)	C(C[6a]C[6a]2)(NN[6])(H)	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]HH)2(NC){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(NN[6])(H)	120.7220	0.000	1	120.4830	0.153	3	120.4830	0.153	3	120.2065	0.408	4	116.7718	11.646	40	116.7718	11.646	40
941	856	930	0:SP2_SP2_SP2	N	N[6]	C	3:3:	4:4:2:	3:2:1:	N[6]-3:C-3:	C[6]-4:C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]HH)2(NC)	C(C[6a]C[6a]2)(NN[6])(H)	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]HH)2(NC){1|N<4>,4|H<1>}	C(C[6a]C[6a]2)(NN[6])(H)	120.6960	0.000	1	120.4830	0.153	3	120.4830	0.153	3	120.2065	0.408	4	116.7718	11.646	40	116.7718	11.646	40
941	856	930	0:SP2_SP2_SP2	N	N[6]	C	3:3:	4:4:2:	3:2:1:	N[6]-3:C-3:	C[6]-4:C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]HH)2(NC)	C(C[6a]C[6a]2)(NN[6])(H)	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]HH)2(NC){1|O<2>,4|H<1>}	C(C[6a]C[6a]2)(NN[6])(H)	120.0310	0.000	1	120.4830	0.153	3	120.4830	0.153	3	120.2065	0.408	4	116.7718	11.646	40	116.7718	11.646	40
941	856	930	0:SP2_SP2_SP3	N	N[6]	C	3:3:	4:3:2:	3:2:4:	N[6]-3:C-3:	C[6]-4:C[6]-3:N-2:	C[6a]-3:N-2:C-4:	N(N[6]C[6]2)(CC[6a]C)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	C(C[6a]C[6a]2)(NN[6])(CH3)	N(N[6]C[6]2)(CC[6a]C)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]2)(NN[6])(CH3)	119.0140	0.000	1	119.0140	0.000	1	119.0140	0.000	1	119.0140	0.000	1	120.9480	8.202	11	120.9480	8.202	11
941	856	930	0:SP2_SP2_SP3	N	N[6]	C	3:3:	4:4:2:	2:3:2:	N[6]-3:C-3:	C[6]-4:C[6]-4:N-2:	N-2:C-3:N-2:	N(N[6]C[6]2)(CCN)	N[6](C[6]C[6]HH)2(NC)	C(NN[6])(CCH)(NC)	N(N[6]C[6]2)(CCN)	N[6](C[6]C[6]HH)2(NC){1|O<2>,4|H<1>}	C(NN[6])(CCH)(NC)	115.1470	0.000	1	115.1470	0.000	1	115.1470	0.000	1	115.1470	0.000	1	120.9480	8.202	11	120.9480	8.202	11
941	856	930	0:SP2_SP2_SP3	N	N[6]	C	3:3:	4:4:2:	2:4:1:	N[6]-3:C-3:	C[6]-4:C[6]-4:N-2:	N-2:C-4:H-1:	N(N[6]C[6]2)(CCH)	N[6](C[6]C[6]HH)2(NC)	C(NN[6])(CHHS)(H)	N(N[6]C[6]2)(CCH)	N[6](C[6]C[6]HH)2(NC){1|O<2>,4|H<1>}	C(NN[6])(CHHS)(H)	120.0090	0.000	1	120.0090	0.000	1	120.0090	0.000	1	120.0090	0.000	1	120.9480	8.202	11	120.9480	8.202	11
941	856	930	0:SP2_SP2_SP3	N	N[6]	C	3:3:	4:4:2:	3:2:1:	N[6]-3:C-3:	C[6]-4:C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]HH)2(NC)	C(C[6a]C[6a]2)(NN[6])(H)	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]HH)2(NC){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(NN[6])(H)	120.7950	0.463	4	120.8977	0.265	6	120.8977	0.265	6	120.8977	0.265	6	120.9480	8.202	11	120.9480	8.202	11
941	856	930	0:SP2_SP2_SP3	N	N[6]	C	3:3:	4:4:2:	3:2:1:	N[6]-3:C-3:	C[6]-4:C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]HH)2(NC)	C(C[6a]C[6a]2)(NN[6])(H)	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]HH)2(NC){1|N<4>,4|H<1>}	C(C[6a]C[6a]2)(NN[6])(H)	120.5770	0.000	1	120.8977	0.265	6	120.8977	0.265	6	120.8977	0.265	6	120.9480	8.202	11	120.9480	8.202	11
941	856	930	0:SP2_SP2_SP3	N	N[6]	C	3:3:	4:4:2:	3:2:1:	N[6]-3:C-3:	C[6]-4:C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]HH)2(NC)	C(C[6a]C[6a]2)(NN[6])(H)	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]HH)2(NC){1|O<2>,4|H<1>}	C(C[6a]C[6a]2)(NN[6])(H)	121.6290	0.000	1	120.8977	0.265	6	120.8977	0.265	6	120.8977	0.265	6	120.9480	8.202	11	120.9480	8.202	11
941	856	930	0:SP2_SP2_SP3	N	N[6]	C	3:3:	4:4:2:	3:2:4:	N[6]-3:C-3:	C[6]-4:C[6]-4:N-2:	C[6a]-3:N-2:C-4:	N(N[6]C[6]2)(CC[6a]C)	N[6](C[6]C[6]HH)2(NC)	C(C[6a]C[6a]2)(NN[6])(CF3)	N(N[6]C[6]2)(CC[6a]C)	N[6](C[6]C[6]HH)2(NC){1|O<2>,4|H<1>}	C(C[6a]C[6a]2)(NN[6])(CF3)	126.4660	0.000	1	126.4660	0.000	1	126.4660	0.000	1	126.4660	0.000	1	120.9480	8.202	11	120.9480	8.202	11
941	856	930	0:SP2_SP2_SP3	N	N[6]	C	3:3:	4:4:2:	3:3:2:	C-3:N[6]-3:	C[6]-4:C[6]-4:N-2:	C[6a]-3:N[5]-3:N-2:	N(CC[6a]N[5])(N[6]C[6]2)	N[6](C[6]C[6]HH)2(NC)	C(C[6a]C[6a]2)(N[5]C[5]2)(NN[6])	N(CC[6a]N[5])(N[6]C[6]2)	N[6](C[6]C[6]HH)2(NC){1|O<2>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(NN[6])	124.4060	0.000	1	124.4060	0.000	1	124.4060	0.000	1	124.4060	0.000	1	120.9480	8.202	11	120.9480	8.202	11
941	856	941	0:SP2_SP2_SP2	N	N[6]	N	3:2:	4:3:2:	3:2:	N[6]-3:N-2:	C[6]-4:C[6]-3:N-2:	C[6a]-3:N-2:	N(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)(C[6]C[6]O)(NN)	N(C[6a]C[6a]2)(NN[6])	N(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)(C[6]C[6]O)(NN){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(NN[6])	111.5320	0.000	1	111.5320	0.000	1	111.5320	0.000	1	111.5320	0.000	1	112.9277	1.555	3	112.9277	1.555	3
941	856	941	0:SP2_SP2_SP2	N	N[6]	N	3:2:	4:4:2:	3:2:	N[6]-3:N-2:	C[6]-4:C[6]-4:N-2:	C[6a]-3:N-2:	N(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NN)	N(C[6a]C[6a]2)(NN[6])	N(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NN){2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN[6])	113.3190	0.000	1	113.3190	0.000	1	113.6255	0.188	2	113.6255	0.188	2	112.9277	1.555	3	112.9277	1.555	3
941	856	941	0:SP2_SP2_SP2	N	N[6]	N	3:2:	4:4:2:	3:2:	N[6]-3:N-2:	C[6]-4:C[6]-4:N-2:	C[6a]-3:N-2:	N(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(NN)	N(C[6a]C[6a]2)(NN[6])	N(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(NN){1|O<2>,4|H<1>}	N(C[6a]C[6a]2)(NN[6])	113.9320	0.000	1	113.9320	0.000	1	113.6255	0.188	2	113.6255	0.188	2	112.9277	1.555	3	112.9277	1.555	3
941	856	952	0:SP2_SP2_SP3	N	N[6]	S	3:4:	3:3:2:	2:4:1:1:	N[6]-3:S-4:	C[6]-3:C[6]-3:N-2:	N-2:C-4:O-1:O-1:	N(N[6]C[6]2)(SCOO)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(NS)	S(NN[6])(CF3)(O)2	N(N[6]C[6]2)(SCOO)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(NS){1|H<1>,2|C<3>}	S(NN[6])(CF3)(O)2	115.3900	0.000	1	115.3900	0.000	1	114.0220	3.743	2	114.0220	3.743	2	113.0410	3.188	6	113.0410	3.188	6
941	856	952	0:SP2_SP2_SP3	N	N[6]	S	3:4:	3:3:2:	2:4:1:1:	N[6]-3:S-4:	C[6]-3:C[6]-3:N-2:	N-2:C-4:O-1:O-1:	N(N[6]C[6]2)(SCOO)	N[6](C[6]C[6]H)2(NS)	S(NN[6])(CF3)(O)2	N(N[6]C[6]2)(SCOO)	N[6](C[6]C[6]H)2(NS){1|C<3>,1|C<4>,1|H<1>}	S(NN[6])(CF3)(O)2	112.6540	0.000	1	112.6540	0.000	1	114.0220	3.743	2	114.0220	3.743	2	113.0410	3.188	6	113.0410	3.188	6
941	856	952	0:SP2_SP2_SP3	N	N[6]	S	3:4:	3:3:2:	3:2:1:1:	N[6]-3:S-4:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(N[6]C[6]2)(SC[6a]OO)	N[6](C[6]C[5a,6]H)(C[6]C[6]C)(NS)	S(C[6a]C[6a]2)(NN[6])(O)2	N(N[6]C[6]2)(SC[6a]OO)	N[6](C[6]C[5a,6]H)(C[6]C[6]C)(NS){3|C<3>}	S(C[6a]C[6a]2)(NN[6])(O)2	111.6400	0.000	1	111.6400	0.000	1	111.6713	0.018	3	111.6713	0.018	3	113.0410	3.188	6	113.0410	3.188	6
941	856	952	0:SP2_SP2_SP3	N	N[6]	S	3:4:	3:3:2:	3:2:1:1:	N[6]-3:S-4:	C[6]-3:C[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(N[6]C[6]2)(SC[6a]OO)	N[6](C[6]C[6,6a]H)(C[6]N[6]N)(NS)	S(C[6a]C[6a]2)(NN[6])(O)2	N(N[6]C[6]2)(SC[6a]OO)	N[6](C[6]C[6,6a]H)(C[6]N[6]N)(NS){2|C<3>}	S(C[6a]C[6a]2)(NN[6])(O)2	111.6870	0.188	2	111.6870	0.035	2	111.6713	0.018	3	111.6713	0.018	3	113.0410	3.188	6	113.0410	3.188	6
941	856	952	0:SP2_SP2_SP3	N	N[6]	S	3:4:	4:4:2:	3:2:1:1:	N[6]-3:S-4:	C[6]-4:C[6]-4:N-2:	C-3:N-2:O-1:O-1:	N(N[6]C[6]2)(SCOO)	N[6](C[6]C[6]HH)2(NS)	S(CC[6a]C)(NN[6])(O)2	N(N[6]C[6]2)(SCOO)	N[6](C[6]C[6]HH)2(NS){1|O<2>,4|H<1>}	S(CC[6a]C)(NN[6])(O)2	115.1880	0.000	1	115.1880	0.000	1	115.1880	0.000	1	115.1880	0.000	1	113.0410	3.188	6	113.0410	3.188	6
941	863	863	0:SP2_SP2_SP2	N	O	O	1:1:	2:	2:	O-1:O-1:	N-2:	N-2:	N(O)2	O(NO)	O(NO)	N(O)2	O(NO)	O(NO)	139.4538	28.709	17	139.4538	824.222	17	139.4538	824.222	17	139.4538	824.222	17	139.4538	824.222	17	139.4538	824.222	17
941	863	893	0:SP2_SP2_SP2	N	O	O	2:1:	2:	4:2:	O-2:O-1:	N-2:	B-4:N-2:	N(OB)(O)	O(NO)	O(BC[5]HH)(NO)	N(OB)(O)	O(NO)	O(BC[5]HH)(NO)	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1
941	863	909	0:SP2_SP2_SP2	N	O	S	2:1:	2:	4:2:	S-2:O-1:	N-2:	C[6,6]-4:N-2:	N(SC[6,6])(O)	O(NS)	S(C[6,6]C[6,6]C[6]2)(NO)	N(SC[6,6])(O)	O(NS)	S(C[6,6]C[6,6]C[6]2)(NO)	114.6910	0.000	1	114.6910	0.000	1	114.6910	0.000	1	114.6910	0.000	1	114.6910	0.000	1	114.6910	0.000	1
941	863	930	0:SP2_SP2_SP2	N	O	C	3:1:	2:	2:2:2:	C-3:O-1:	N-2:	C-2:C-2:N-2:	N(CCC)(O)	O(NC)	C(CN)2(NO)	N(CCC)(O)	O(NC)	C(CN)2(NO)	111.7437	7.596	3	111.7437	57.705	3	111.7437	57.705	3	111.7437	57.705	3	115.0305	19.009	18	115.0305	19.009	18
941	863	930	0:SP2_SP2_SP2	N	O	C	3:1:	2:	3:2:1:	C-3:O-1:	N-2:	C-3:N-2:Cl-1:	N(CClC)(O)	O(NC)	C(CCN)(NO)(Cl)	N(CClC)(O)	O(NC)	C(CCN)(NO)(Cl)	113.8235	0.788	2	113.8235	0.622	2	113.8235	0.622	2	112.7397	3.835	3	115.0305	19.009	18	115.0305	19.009	18
941	863	930	0:SP2_SP2_SP2	N	O	C	3:1:	2:	3:2:1:	C-3:O-1:	N-2:	C[5a]-3:N-2:O-1:	N(CC[5a]O)(O)	O(NC)	C(C[5a]C[5a]N[5a])(NO)(O)	N(CC[5a]O)(O)	O(NC)	C(C[5a]C[5a]N[5a])(NO)(O)	110.5720	0.000	1	110.5720	0.000	1	110.5720	0.000	1	112.7397	3.835	3	115.0305	19.009	18	115.0305	19.009	18
941	863	930	0:SP2_SP2_SP2	N	O	C	3:1:	2:	3:2:2:	C-3:O-1:	N-2:	C-3:C-2:N-2:	N(CCC)(O)	O(NC)	C(CNO)(CN)(NO)	N(CCC)(O)	O(NC)	C(CNO)(CN)(NO)	117.1740	0.000	1	117.1740	0.000	1	116.9387	0.087	3	116.4105	1.712	8	115.0305	19.009	18	115.0305	19.009	18
941	863	930	0:SP2_SP2_SP2	N	O	C	3:1:	2:	3:2:2:	C-3:O-1:	N-2:	C-3:C-2:N-2:	N(CCC)(O)	O(NC)	C(CN[6]O)(CN)(NO)	N(CCC)(O)	O(NC)	C(CN[6]O)(CN)(NO)	117.0350	0.000	1	117.0350	0.000	1	116.9387	0.087	3	116.4105	1.712	8	115.0305	19.009	18	115.0305	19.009	18
941	863	930	0:SP2_SP2_SP2	N	O	C	3:1:	2:	3:2:2:	C-3:O-1:	N-2:	C-3:C-2:N-2:	N(CCC)(O)	O(NC)	C(COO)(CN)(NO)	N(CCC)(O)	O(NC)	C(COO)(CN)(NO)	116.6070	0.000	1	116.6070	0.000	1	116.9387	0.087	3	116.4105	1.712	8	115.0305	19.009	18	115.0305	19.009	18
941	863	930	0:SP2_SP2_SP2	N	O	C	3:1:	2:	3:2:2:	C-3:O-1:	N-2:	C[5a]-3:C-2:N-2:	N(CC[5a]C)(O)	O(NC)	C(C[5a]N[5a]S[5a])(CN)(NO)	N(CC[5a]C)(O)	O(NC)	C(C[5a]N[5a]S[5a])(CN)(NO)	116.6220	0.000	1	116.6220	0.000	1	116.6220	0.000	1	116.4105	1.712	8	115.0305	19.009	18	115.0305	19.009	18
941	863	930	0:SP2_SP2_SP2	N	O	C	3:1:	2:	3:2:2:	C-3:O-1:	N-2:	C[6a]-3:C-2:N-2:	N(CC[6a]C)(O)	O(NC)	C(C[6a]C[6a]2)(CN)(NO)	N(CC[6a]C)(O)	O(NC)	C(C[6a]C[6a]2)(CN)(NO)	115.9615	1.837	4	115.9615	3.374	4	115.9615	3.374	4	116.4105	1.712	8	115.0305	19.009	18	115.0305	19.009	18
941	863	930	0:SP2_SP2_SP2	N	O	C	3:1:	2:	3:4:2:	C-3:O-1:	N-2:	C[6a]-3:C[5]-4:N-2:	N(CC[6a]C[5])(O)	O(NC)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NO)	N(CC[6a]C[5])(O)	O(NC)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NO)	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	115.0305	19.009	18	115.0305	19.009	18
941	863	930	0:SP2_SP2_SP2	N	O	C	3:1:	2:	4:3:2:	C-3:O-1:	N-2:	C-4:C-3:N-2:	N(CCC)(O)	O(NC)	C(CCHH)(CClN)(NO)	N(CCC)(O)	O(NC)	C(CCHH)(CClN)(NO)	112.9285	0.422	2	112.9285	0.178	2	112.9285	0.178	2	112.9285	0.178	2	115.0305	19.009	18	115.0305	19.009	18
941	863	930	0:SP2_SP2_SP2	N	O	C	3:1:	2:	4:4:2:	C-3:O-1:	N-2:	C-4:C-4:N-2:	N(CCC)(O)	O(NC)	C(CH3)2(NO)	N(CCC)(O)	O(NC)	C(CH3)2(NO)	125.7540	0.000	1	125.7540	0.000	1	125.7540	0.000	1	125.7540	0.000	1	115.0305	19.009	18	115.0305	19.009	18
941	863	941	0:SP2_SP2_SP2	N	O	N	2:1:	2:	3:2:	N-2:O-1:	N-2:	C[5]-3:N-2:	N(NC[5])(O)	O(NN)	N(C[5]C[5]N[5])(NO)	N(NC[5])(O)	O(NN)	N(C[5]C[5]N[5])(NO)	116.2760	3.281	2	116.2760	10.765	2	114.3117	3.814	7	114.0354	3.352	9	114.0354	3.352	9	114.0354	3.352	9
941	863	941	0:SP2_SP2_SP2	N	O	N	2:1:	2:	3:2:	N-2:O-1:	N-2:	C[5]-3:N-2:	N(NC[5])(O)	O(NN)	N(C[5]N[5]2)(NO)	N(NC[5])(O)	O(NN)	N(C[5]N[5]2)(NO)	113.5260	0.574	5	113.5260	0.330	5	114.3117	3.814	7	114.0354	3.352	9	114.0354	3.352	9	114.0354	3.352	9
941	863	941	0:SP2_SP2_SP2	N	O	N	2:1:	2:	3:2:	N-2:O-1:	N-2:	C[5a]-3:N-2:	N(NC[5a])(O)	O(NN)	N(C[5a]N[5a,6a]N[5a])(NO)	N(NC[5a])(O)	O(NN)	N(C[5a]N[5a,6a]N[5a])(NO)	112.1960	0.000	1	112.1960	0.000	1	113.0685	1.523	2	114.0354	3.352	9	114.0354	3.352	9	114.0354	3.352	9
941	863	941	0:SP2_SP2_SP2	N	O	N	2:1:	2:	3:2:	N-2:O-1:	N-2:	C[5a]-3:N-2:	N(NC[5a])(O)	O(NN)	N(C[5a]N[5a]2)(NO)	N(NC[5a])(O)	O(NN)	N(C[5a]N[5a]2)(NO)	113.9410	0.000	1	113.9410	0.000	1	113.0685	1.523	2	114.0354	3.352	9	114.0354	3.352	9	114.0354	3.352	9
941	863	956	0:SP2_SP2_SP2	N	O	N	3:1:	2:	3:2:1:	N-3:O-1:	N-2:	C-3:N-2:O-1:	N(NCO)(O)	O(NN)	N(CCC)(NO)(O)	N(NCO)(O)	O(NN)	N(CCC)(NO)(O)	114.4390	0.000	1	114.4390	0.000	1	114.4390	0.000	1	114.4390	0.000	1	114.2801	0.668	27	114.2801	0.668	27
941	863	956	0:SP2_SP2_SP2	N	O	N	3:1:	2:	3:4:2:	N-3:O-1:	N-2:	C[6a]-3:C-4:N-2:	N(NC[6a]C)(O)	O(NN)	N(C[6a]C[6a,6a]C[6a])(CCHH)(NO)	N(NC[6a]C)(O)	O(NN)	N(C[6a]C[6a,6a]C[6a])(CCHH)(NO)	115.1380	0.000	1	115.1380	0.000	1	114.3350	0.388	13	114.3350	0.388	13	114.2801	0.668	27	114.2801	0.668	27
941	863	956	0:SP2_SP2_SP2	N	O	N	3:1:	2:	3:4:2:	N-3:O-1:	N-2:	C[6a]-3:C-4:N-2:	N(NC[6a]C)(O)	O(NN)	N(C[6a]C[6a]2)(CCHH)(NO)	N(NC[6a]C)(O)	O(NN)	N(C[6a]C[6a]2)(CCHH)(NO)	114.0826	0.559	9	114.0826	0.312	9	114.3350	0.388	13	114.3350	0.388	13	114.2801	0.668	27	114.2801	0.668	27
941	863	956	0:SP2_SP2_SP2	N	O	N	3:1:	2:	3:4:2:	N-3:O-1:	N-2:	C[6a]-3:C-4:N-2:	N(NC[6a]C)(O)	O(NN)	N(C[6a]C[6a]2)(CC[6a]HH)(NO)	N(NC[6a]C)(O)	O(NN)	N(C[6a]C[6a]2)(CC[6a]HH)(NO)	114.5420	0.000	1	114.5420	0.000	1	114.3350	0.388	13	114.3350	0.388	13	114.2801	0.668	27	114.2801	0.668	27
941	863	956	0:SP2_SP2_SP2	N	O	N	3:1:	2:	3:4:2:	N-3:O-1:	N-2:	C[6a]-3:C-4:N-2:	N(NC[6a]C)(O)	O(NN)	N(C[6a]C[6a]2)(CH3)(NO)	N(NC[6a]C)(O)	O(NN)	N(C[6a]C[6a]2)(CH3)(NO)	114.9660	0.318	2	114.9660	0.101	2	114.3350	0.388	13	114.3350	0.388	13	114.2801	0.668	27	114.2801	0.668	27
941	863	956	0:SP2_SP2_SP2	N	O	N	3:1:	2:	4:2:2:	N-3:O-1:	N-2:	C-4:N-2:O-2:	N(NCO)(O)	O(NN)	N(CC3)(NO)(OC)	N(NCO)(O)	O(NN)	N(CC3)(NO)(OC)	116.2520	0.000	1	116.2520	0.000	1	116.2520	0.000	1	116.2520	0.000	1	114.2801	0.668	27	114.2801	0.668	27
941	863	956	0:SP2_SP2_SP2	N	O	N	3:1:	2:	4:3:2:	N-3:O-1:	N-2:	C-4:C-3:N-2:	N(NCC)(O)	O(NN)	N(CCHH)(CNO)(NO)	N(NCC)(O)	O(NN)	N(CCHH)(CNO)(NO)	114.2780	0.212	2	114.2780	0.045	2	114.4223	0.085	3	114.4223	0.085	3	114.2801	0.668	27	114.2801	0.668	27
941	863	956	0:SP2_SP2_SP2	N	O	N	3:1:	2:	4:3:2:	N-3:O-1:	N-2:	C-4:C-3:N-2:	N(NCC)(O)	O(NN)	N(CH3)(CCO)(NO)	N(NCC)(O)	O(NN)	N(CH3)(CCO)(NO)	114.7110	0.000	1	114.7110	0.000	1	114.4223	0.085	3	114.4223	0.085	3	114.2801	0.668	27	114.2801	0.668	27
941	863	956	0:SP2_SP2_SP2	N	O	N	3:1:	2:	4:4:2:	N-3:O-1:	N-2:	C-4:C-4:N-2:	N(NCC)(O)	O(NN)	N(CCCH)(CCHH)(NO)	N(NCC)(O)	O(NN)	N(CCCH)(CCHH)(NO)	114.7103	1.001	3	114.7103	1.002	3	113.9969	0.983	8	113.9166	0.918	9	114.2801	0.668	27	114.2801	0.668	27
941	863	956	0:SP2_SP2_SP2	N	O	N	3:1:	2:	4:4:2:	N-3:O-1:	N-2:	C-4:C-4:N-2:	N(NCC)(O)	O(NN)	N(CCHH)(CC3)(NO)	N(NCC)(O)	O(NN)	N(CCHH)(CC3)(NO)	113.7490	0.000	1	113.7490	0.000	1	113.9969	0.983	8	113.9166	0.918	9	114.2801	0.668	27	114.2801	0.668	27
941	863	956	0:SP2_SP2_SP2	N	O	N	3:1:	2:	4:4:2:	N-3:O-1:	N-2:	C-4:C-4:N-2:	N(NCC)(O)	O(NN)	N(CCHH)(CH3)(NO)	N(NCC)(O)	O(NN)	N(CCHH)(CH3)(NO)	112.7610	0.000	1	112.7610	0.000	1	113.9969	0.983	8	113.9166	0.918	9	114.2801	0.668	27	114.2801	0.668	27
941	863	956	0:SP2_SP2_SP2	N	O	N	3:1:	2:	4:4:2:	N-3:O-1:	N-2:	C-4:C-4:N-2:	N(NCC)(O)	O(NN)	N(CCHH)2(NO)	N(NCC)(O)	O(NN)	N(CCHH)2(NO)	114.2535	0.511	2	114.2535	0.261	2	113.9969	0.983	8	113.9166	0.918	9	114.2801	0.668	27	114.2801	0.668	27
941	863	956	0:SP2_SP2_SP2	N	O	N	3:1:	2:	4:4:2:	N-3:O-1:	N-2:	C-4:C-4:N-2:	N(NCC)(O)	O(NN)	N(CC[6a]HH)(CCHH)(NO)	N(NCC)(O)	O(NN)	N(CC[6a]HH)(CCHH)(NO)	112.8270	0.000	1	112.8270	0.000	1	113.9969	0.983	8	113.9166	0.918	9	114.2801	0.668	27	114.2801	0.668	27
941	863	956	0:SP2_SP2_SP2	N	O	N	3:1:	2:	4:4:2:	N-3:O-1:	N-2:	S-4:C-4:N-2:	N(NCS)(O)	O(NN)	N(SC[6a]OO)(CH3)(NO)	N(NCS)(O)	O(NN)	N(SC[6a]OO)(CH3)(NO)	113.2740	0.000	1	113.2740	0.000	1	113.2740	0.000	1	113.9166	0.918	9	114.2801	0.668	27	114.2801	0.668	27
941	863	983	0:SP2_SP1_SP2	N	O	C	2:1:	2:	3:2:	C-2:O-1:	N-2:	C[6a]-3:N-2:	N(CC[6a])(O)	O(NC)	C(C[6a]C[6a]2)(NO)	N(CC[6a])(O)	O(NC)	C(C[6a]C[6a]2)(NO)	178.7483	0.897	6	178.7483	0.804	6	178.7483	0.804	6	178.7483	0.804	6	178.7483	0.804	6	178.7483	0.804	6
941	874	983	0:SP2_SP1_SP3	N	B[6,6]	C	4:2:	4:4:4:2:	2:4:	B[6,6]-4:C-2:	C[6,6]-4:C[6,6]-4:C-4:N-2:	N-2:C-4:	N(B[6,6]C[6,6]2C)(CC)	B[6,6](C[6,6]C[6]2H)2(CHHS)(NC)	C(NB[6,6])(CH3)	N(B[6,6]C[6,6]2C)(CC)	B[6,6](C[6,6]C[6]2H)2(CHHS)(NC){2|C<4>,8|H<1>}	C(NB[6,6])(CH3)	175.7317	0.661	3	175.7317	0.436	3	175.7317	0.436	3	175.7317	0.436	3	175.7317	0.436	3	174.9950	3.206	5
941	874	983	0:SP2_SP1_SP3	N	B[6]	C	4:2:	3:3:3:2:	2:4:	B[6]-4:C-2:	C[6,6a]-3:C[6,6a]-3:C[5]-3:N-2:	N-2:C-4:	N(B[6]C[6,6a]2C[5])(CC)	B[6](C[6,6a]C[6,6a]C[6a])2(C[5]N[5]2)(NC)	C(NB[6])(CH3)	N(B[6]C[6,6a]2C[5])(CC)	B[6](C[6,6a]C[6,6a]C[6a])2(C[5]N[5]2)(NC){1|B<4>,2|H<1>,8|C<3>}	C(NB[6])(CH3)	171.9050	0.000	1	171.9050	0.000	1	171.9050	0.000	1	171.9050	0.000	1	173.8900	7.880	2	174.9950	3.206	5
941	874	983	0:SP2_SP1_SP3	N	B[6]	C	4:2:	4:4:3:2:	2:4:	B[6]-4:C-2:	C[5,6]-4:C[5,6]-4:C[6a]-3:N-2:	N-2:C-4:	N(B[6]C[5,6]2C[6a])(CC)	B[6](C[5,6]C[5,6]C[5]Fe)2(C[6a]C[6a]2)(NC)	C(NB[6])(CH3)	N(B[6]C[5,6]2C[6a])(CC)	B[6](C[5,6]C[5,6]C[5]Fe)2(C[6a]C[6a]2)(NC){1|B<4>,2|C<3>,4|C<4>,4|H<1>}	C(NB[6])(CH3)	175.8750	0.000	1	175.8750	0.000	1	175.8750	0.000	1	175.8750	0.000	1	173.8900	7.880	2	174.9950	3.206	5
941	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:	3:2:1:1:	4:4:4:2:	Si-4:Si-4:	C[5]-3:N-2:I-1:I-1:	C-4:C-4:C-4:N-2:	N(SiC[5]II)(SiC3)	Si(C[5]C[5]N[5])(NSi)(I)2	Si(CH3)3(NSi)	N(SiC[5]II)(SiC3)	Si(C[5]C[5]N[5])(NSi)(I)2	Si(CH3)3(NSi)	141.0410	0.000	1	141.0410	0.000	1	141.0410	0.000	1	141.0410	0.000	1	159.0950	651.894	2	159.0950	651.894	2
941	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:	3:4:4:2:	4:4:4:2:	Si-4:Si-4:	N[6]-3:Si-4:Si-4:N-2:	C-4:C-4:C-4:N-2:	N(SiN[6]Si2)(SiC3)	Si(N[6]C[6]2)(SiSi3)(SiC3)(NSi)	Si(CH3)3(NSi)	N(SiN[6]Si2)(SiC3)	Si(N[6]C[6]2)(SiSi3)(SiC3)(NSi)	Si(CH3)3(NSi)	177.1490	0.000	1	177.1490	0.000	1	177.1490	0.000	1	177.1490	0.000	1	159.0950	651.894	2	159.0950	651.894	2
941	880	887	0:SP2_SP3_SP3	N	Si	S	3:4:	4:4:4:2:	3:3:2:	S-3:Si-4:	C-4:C-4:C-4:N-2:	C[6a]-3:N[6]-3:N-2:	N(SC[6a]N[6])(SiC3)	Si(CH3)3(NS)	S(C[6a]C[6a]2)(N[6]Ge[6]2)(NSi)	N(SC[6a]N[6])(SiC3)	Si(CH3)3(NS)	S(C[6a]C[6a]2)(N[6]Ge[6]2)(NSi)	124.3640	0.000	1	124.3640	0.000	1	124.3640	0.000	1	124.3640	0.000	1	123.4340	1.730	2	123.4340	1.730	2
941	880	887	0:SP2_SP3_SP3	N	Si	S	4:3:	4:4:4:2:	4:3:2:	Si-4:S-3:	C-4:C-4:C-4:N-2:	C-4:N-3:N-2:	N(SiC3)(SCN)	Si(CH3)3(NS)	S(CHHP)(NSiH)(NSi)	N(SiC3)(SCN)	Si(CH3)3(NS)	S(CHHP)(NSiH)(NSi)	122.5040	0.000	1	122.5040	0.000	1	122.5040	0.000	1	122.5040	0.000	1	123.4340	1.730	2	123.4340	1.730	2
941	880	909	0:SP2_SP2_SP3	N	Si	S	4:2:	4:4:4:2:	2:2:	Si-4:S-2:	C-4:C-4:C-4:N-2:	N-2:N-2:	N(SiC3)(SN)	Si(CH3)3(NS)	S(NSe)(NSi)	N(SiC3)(SN)	Si(CH3)3(NS)	S(NSe)(NSi)	127.5895	1.718	2	127.5895	2.950	2	127.5895	2.950	2	127.5895	2.950	2	127.5895	2.950	2	127.5895	2.950	2
941	880	930	0:SP2_SP2_SP3	N	Si	C	3:4:	4:4:4:2:	3:3:2:	C-3:Si-4:	C-4:C-4:C-4:N-2:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(SiC3)	Si(CH3)3(NC)	C(C[6a]C[6a]2)(CCH)(NSi)	N(CC[6a]C)(SiC3)	Si(CH3)3(NC)	C(C[6a]C[6a]2)(CCH)(NSi)	131.4610	0.000	1	131.4610	0.000	1	131.4610	0.000	1	133.4300	7.754	2	139.6976	103.866	10	139.6976	103.866	10
941	880	930	0:SP2_SP2_SP3	N	Si	C	3:4:	4:4:4:2:	3:3:2:	C-3:Si-4:	C-4:C-4:C-4:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(SiC3)	Si(CH3)3(NC)	C(C[6a]C[6a]2)(NSiH)(NSi)	N(CC[6a]N)(SiC3)	Si(CH3)3(NC)	C(C[6a]C[6a]2)(NSiH)(NSi)	135.3990	0.000	1	135.3990	0.000	1	135.3990	0.000	1	133.4300	7.754	2	139.6976	103.866	10	139.6976	103.866	10
941	880	930	0:SP2_SP2_SP3	N	Si	C	3:4:	4:4:4:2:	3:4:2:	C-3:Si-4:	C-4:C-4:C-4:N-2:	C[6a]-3:Ge-4:N-2:	N(CC[6a]Ge)(SiC3)	Si(CH3)3(NC)	C(C[6a]C[6a]2)(GeGeSiC)(NSi)	N(CC[6a]Ge)(SiC3)	Si(CH3)3(NC)	C(C[6a]C[6a]2)(GeGeSiC)(NSi)	132.2050	0.397	2	132.2050	0.158	2	132.2050	0.158	2	132.2050	0.158	2	139.6976	103.866	10	139.6976	103.866	10
941	880	930	0:SP2_SP2_SP3	N	Si	C	4:3:	3:2:2:1:	3:4:2:	Si-4:C-3:	C[5]-3:N-2:N-2:Cl-1:	C[6a]-3:Si-4:N-2:	N(SiC[5]ClN)(CC[6a]Si)	Si(C[5]N[5]2)(NC[6a])(NC)(Cl)	C(C[6a]C[6a]2)(SiC3)(NSi)	N(SiC[5]ClN)(CC[6a]Si)	Si(C[5]N[5]2)(NC[6a])(NC)(Cl)	C(C[6a]C[6a]2)(SiC3)(NSi)	137.4120	0.000	1	137.4120	0.000	1	137.4120	0.000	1	137.4120	0.000	1	139.6976	103.866	10	139.6976	103.866	10
941	880	930	0:SP2_SP2_SP3	N	Si	C	4:3:	4:4:3:2:	3:2:1:	Si-4:C-3:	Si-4:Si-4:C-3:N-2:	C-3:N-2:H-1:	N(SiSi2C)(CCH)	Si(SiC3)2(CCH)(NC)	C(CCH)(NSi)(H)	N(SiSi2C)(CCH)	Si(SiC3)2(CCH)(NC)	C(CCH)(NSi)(H)	125.6570	0.000	1	125.6570	0.000	1	125.6570	0.000	1	125.6570	0.000	1	139.6976	103.866	10	139.6976	103.866	10
941	880	930	0:SP2_SP2_SP3	N	Si	C	4:3:	4:4:4:2:	3:3:2:	Si-4:C-3:	C-4:C-4:C-4:N-2:	N-3:N-3:N-2:	N(SiC3)(CNN)	Si(CH3)3(NC)	C(NZrC)(NCC)(NSi)	N(SiC3)(CNN)	Si(CH3)3(NC)	C(NZrC)(NCC)(NSi)	151.9337	4.096	3	151.9337	16.775	3	151.9337	16.775	3	151.9337	16.775	3	139.6976	103.866	10	139.6976	103.866	10
941	880	930	0:SP2_SP2_SP3	N	Si	C	4:3:	4:4:4:2:	4:3:2:	Si-4:C-3:	C-4:C-4:C-4:N-2:	C-4:C-3:N-2:	N(SiC3)(CCC)	Si(CH3)3(NC)	C(CC3)(CCH)(NSi)	N(SiC3)(CCC)	Si(CH3)3(NC)	C(CC3)(CCH)(NSi)	146.8360	0.000	1	146.8360	0.000	1	146.8360	0.000	1	146.8360	0.000	1	139.6976	103.866	10	139.6976	103.866	10
941	880	941	0:SP2_SP2_SP3	N	Si	N	2:4:	4:4:4:2:	3:2:	N-2:Si-4:	C-4:C-4:C-4:N-2:	C[5a]-3:N-2:	N(NC[5a])(SiC3)	Si(CH3)3(NN)	N(C[5a]C[5a]2)(NSi)	N(NC[5a])(SiC3)	Si(CH3)3(NN)	N(C[5a]C[5a]2)(NSi)	115.7430	1.168	2	115.7430	1.365	2	115.7430	1.365	2	115.7430	1.365	2	119.2120	16.502	4	119.2120	16.502	4
941	880	941	0:SP2_SP2_SP3	N	Si	N	4:2:	3:4:4:2:	2:1:	Si-4:N-2:	N-3:C-4:C-4:N-2:	N-2:N-1:	N(SiCCN)(NN)	Si(NC[6a]As)(CH3)2(NN)	N(NSi)(N)	N(SiCCN)(NN)	Si(NC[6a]As)(CH3)2(NN)	N(NSi)(N)	122.7290	0.000	1	122.7290	0.000	1	122.6810	0.005	2	122.6810	0.005	2	119.2120	16.502	4	119.2120	16.502	4
941	880	941	0:SP2_SP2_SP3	N	Si	N	4:2:	3:4:4:2:	2:1:	Si-4:N-2:	N-3:C-4:C-4:N-2:	N-2:N-1:	N(SiCCN)(NN)	Si(NC[6a]Sb)(CH3)2(NN)	N(NSi)(N)	N(SiCCN)(NN)	Si(NC[6a]Sb)(CH3)2(NN)	N(NSi)(N)	122.6330	0.000	1	122.6330	0.000	1	122.6810	0.005	2	122.6810	0.005	2	119.2120	16.502	4	119.2120	16.502	4
941	880	945	0:SP2_SP3_SP3	N	Si	P	4:3:	4:4:4:2:	2:1:1:	Si-4:P-3:	Si-4:Si-4:Si-4:N-2:	N-2:Cl-1:Cl-1:	N(SiSi3)(PCl2)	Si(SiC3)3(NP)	P(NSi)(Cl)2	N(SiSi3)(PCl2)	Si(SiC3)3(NP)	P(NSi)(Cl)2	125.9770	0.000	1	125.9770	0.000	1	125.9770	0.000	1	125.9770	0.000	1	125.9770	0.000	1	125.9770	0.000	1
941	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:1:	3:4:3:2:	2:	Si-4:H-1:	C[6a]-3:Si-4:N-3:N-2:	N-2:	N(SiC[6a]SiN)(H)	Si(C[6a]C[6,6a]C[6a])(SiSiHH)(NCC)(NH)	H(NSi)	N(SiC[6a]SiN)(H)	Si(C[6a]C[6,6a]C[6a])(SiSiHH)(NCC)(NH)	H(NSi)	117.3770	0.000	1	117.3770	0.000	1	117.3770	0.000	1	117.3770	0.000	1	117.3770	0.000	1	117.3770	0.000	1
941	880	956	0:SP2_SP2_SP3	N	Si	N	4:3:	3:2:2:1:	4:4:2:	Si-4:N-3:	N-3:N-2:N-2:H-1:	C-4:C-4:N-2:	N(SiHNN)(NCC)	Si(NSiN)(NN)2(H)	N(CH3)2(NSi)	N(SiHNN)(NCC)	Si(NSiN)(NN)2(H)	N(CH3)2(NSi)	123.6280	2.701	2	123.6280	7.296	2	123.6280	7.296	2	123.6280	7.296	2	122.7533	5.943	3	122.7533	5.943	3
941	880	956	0:SP2_SP2_SP3	N	Si	N	4:3:	3:3:2:1:	4:4:2:	Si-4:N-3:	N-3:N-3:N-2:H-1:	C-4:C-4:N-2:	N(SiHNN)(NCC)	Si(NSiN)(NHN)(NN)(H)	N(CH3)2(NSi)	N(SiHNN)(NCC)	Si(NSiN)(NHN)(NN)(H)	N(CH3)2(NSi)	121.0040	0.000	1	121.0040	0.000	1	121.0040	0.000	1	121.0040	0.000	1	122.7533	5.943	3	122.7533	5.943	3
941	880	956	0:SP2_SP3_SP3	N	Si	N	4:3:	3:2:2:1:	4:4:2:	Si-4:N-3:	N-3:N-2:N-2:H-1:	C-4:C-4:N-2:	N(SiHNN)(NCC)	Si(NSiN)(NN)2(H)	N(CH3)2(NSi)	N(SiHNN)(NCC)	Si(NSiN)(NN)2(H)	N(CH3)2(NSi)	123.4805	1.628	2	123.4805	2.652	2	123.4805	2.652	2	123.4805	2.652	2	122.2785	2.958	4	122.2785	2.958	4
941	880	956	0:SP2_SP3_SP3	N	Si	N	4:3:	3:3:2:1:	4:4:2:	Si-4:N-3:	C[6a]-3:N-3:N-2:Cl-1:	C-4:C-4:N-2:	N(SiC[6a]ClN)(NCC)	Si(C[6a]C[6a]2)(NHN)(NN)(Cl)	N(CH3)2(NSi)	N(SiC[6a]ClN)(NCC)	Si(C[6a]C[6a]2)(NHN)(NN)(Cl)	N(CH3)2(NSi)	120.6060	0.000	1	120.6060	0.000	1	120.6060	0.000	1	120.6060	0.000	1	122.2785	2.958	4	122.2785	2.958	4
941	880	956	0:SP2_SP3_SP3	N	Si	N	4:3:	3:3:2:2:	4:4:2:	Si-4:N-3:	N-3:N-3:N-2:N-2:	C-4:C-4:N-2:	N(SiN3)(NCC)	Si(NHN)2(NN)2	N(CH3)2(NSi)	N(SiN3)(NCC)	Si(NHN)2(NN)2	N(CH3)2(NSi)	121.5470	0.000	1	121.5470	0.000	1	121.5470	0.000	1	121.5470	0.000	1	122.2785	2.958	4	122.2785	2.958	4
941	880	983	0:SP2_SP1_SP3	N	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:N-2:	C[5]-3:N-2:	N(CC[5])(SiC3)	Si(CCHH)3(NC)	C(C[5]C[5]2)(NSi)	N(CC[5])(SiC3)	Si(CCHH)3(NC)	C(C[5]C[5]2)(NSi)	174.8030	0.000	1	174.8030	0.000	1	174.8030	0.000	1	174.8030	0.000	1	169.3928	141.485	5	169.3928	141.485	5
941	880	983	0:SP2_SP1_SP3	N	Si	C	4:2:	4:4:4:2:	2:2:	Si-4:C-2:	C-4:C-4:C-4:N-2:	N-2:N-2:	N(SiC3)(CN)	Si(CCHH)3(NC)	C(NSi)2	N(SiC3)(CN)	Si(CCHH)3(NC)	C(NSi)2	148.3990	0.000	1	148.3990	0.000	1	148.3990	0.000	1	148.3990	0.000	1	169.3928	141.485	5	169.3928	141.485	5
941	880	983	0:SP2_SP1_SP3	N	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:N-2:	Si-3:N-2:	N(SiC3)(CSi)	Si(CH3)3(NC)	C(SiSi2)(NSi)	N(SiC3)(CSi)	Si(CH3)3(NC)	C(SiSi2)(NSi)	173.1100	1.373	2	173.1100	1.886	2	173.1100	1.886	2	173.1100	1.886	2	169.3928	141.485	5	169.3928	141.485	5
941	880	983	0:SP2_SP1_SP3	N	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:N-2:	B-4:N-2:	N(SiC3)(CB)	Si(CH3)3(NC)	C(BCCS)(NSi)	N(SiC3)(CB)	Si(CH3)3(NC)	C(BCCS)(NSi)	177.5420	0.000	1	177.5420	0.000	1	177.5420	0.000	1	177.5420	0.000	1	169.3928	141.485	5	169.3928	141.485	5
941	880	989	0:SP2_SP2_SP3	N	Si	Si[5]	3:4:	2:4:4:4:	4:4:2:	Si[5]-3:Si-4:	N-2:C-4:C-4:C-4:	C[5]-4:C[5]-4:N-2:	N(Si[5]C[5]2)(SiC3)	Si(NSi[5])(CH3)3	Si[5](C[5]C[5]Si2)2(NSi)	N(Si[5]C[5]2)(SiC3)	Si(NSi[5])(CH3)3	Si[5](C[5]C[5]Si2)2(NSi){4|H<1>}	177.1930	0.000	1	177.1930	0.000	1	177.1930	0.000	1	177.1930	0.000	1	177.1930	0.000	1	177.1930	0.000	1
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	3:3:3:2:	4:4:2:1:	Si-4:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C-4:C-4:N-2:Br-1:	N(SiC[6a]3)(PBrCC)	Si(C[6a]C[6a]2)3(NP)	P(CH3)2(NSi)(Br)	N(SiC[6a]3)(PBrCC)	Si(C[6a]C[6a]2)3(NP)	P(CH3)2(NSi)(Br)	136.3570	0.000	1	136.3570	0.000	1	136.3570	0.000	1	136.3570	0.000	1	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:2:1:	4:4:4:2:	Si-4:P-4:	C-4:C-4:N-2:Cl-1:	C-4:C-4:C-4:N-2:	N(SiClCC)(PC3)	Si(CH3)2(NP)(Cl)	P(CC3)3(NSi)	N(SiClCC)(PC3)	Si(CH3)2(NP)(Cl)	P(CC3)3(NSi)	175.7960	0.000	1	175.7960	0.000	1	175.7960	0.000	1	175.7960	0.000	1	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	3:3:2:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:N-2:C-2:	N(PC[6a]2C)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(NSi)(CP)	N(PC[6a]2C)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(NSi)(CP)	136.5110	4.134	2	136.5110	17.088	2	136.5110	17.088	2	136.5110	17.088	2	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	3:3:3:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	C[4]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]2C[4])(SiC3)	Si(CH3)3(NP)	P(C[4]As[4]P[4])(C[6a]C[6a]2)2(NSi)	N(PC[6a]2C[4])(SiC3)	Si(CH3)3(NP)	P(C[4]As[4]P[4])(C[6a]C[6a]2)2(NSi)	134.9240	0.000	1	134.9240	0.000	1	139.5175	42.200	2	146.6824	135.026	25	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	3:3:3:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	C[4]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]2C[4])(SiC3)	Si(CH3)3(NP)	P(C[4]Ge[4]P[4])(C[6a]C[6a]2)2(NSi)	N(PC[6a]2C[4])(SiC3)	Si(CH3)3(NP)	P(C[4]Ge[4]P[4])(C[6a]C[6a]2)2(NSi)	144.1110	0.000	1	144.1110	0.000	1	139.5175	42.200	2	146.6824	135.026	25	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	3:3:3:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	C[6]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]2C[6])(SiC3)	Si(CH3)3(NP)	P(C[6]Ge[6]P[6])(C[6a]C[6a]2)2(NSi)	N(PC[6a]2C[6])(SiC3)	Si(CH3)3(NP)	P(C[6]Ge[6]P[6])(C[6a]C[6a]2)2(NSi)	159.7960	0.000	1	159.7960	0.000	1	159.7960	0.000	1	146.6824	135.026	25	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	3:3:3:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:N-2:	N(PC[6a]2C)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(CCC)(NSi)	N(PC[6a]2C)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(CCC)(NSi)	142.0580	0.000	1	142.0580	0.000	1	146.7382	82.007	16	146.6824	135.026	25	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	3:3:3:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:N-2:	N(PC[6a]2C)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(CCP)(NSi)	N(PC[6a]2C)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(CCP)(NSi)	147.1325	9.126	13	147.1325	83.278	13	146.7382	82.007	16	146.6824	135.026	25	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	3:3:3:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:N-2:	N(PC[6a]2C)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(CGeP)(NSi)	N(PC[6a]2C)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(CGeP)(NSi)	156.6820	0.000	1	156.6820	0.000	1	146.7382	82.007	16	146.6824	135.026	25	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	3:3:3:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:N-2:	N(PC[6a]2C)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(CSbP)(NSi)	N(PC[6a]2C)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(CSbP)(NSi)	136.3480	0.000	1	136.3480	0.000	1	146.7382	82.007	16	146.6824	135.026	25	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	3:3:3:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)3(NSi)	N(PC[6a]3)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)3(NSi)	141.3855	4.200	2	141.3855	17.636	2	141.3855	17.636	2	146.6824	135.026	25	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	3:3:3:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:N-3:N-2:	N(PC[6a]2N)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(NCP)(NSi)	N(PC[6a]2N)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(NCP)(NSi)	154.2720	0.000	1	154.2720	0.000	1	154.2720	0.000	1	146.6824	135.026	25	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	3:3:3:2:	Si-4:P-4:	C-4:C-4:C-4:N-2:	N-3:N-3:N-3:N-2:	N(SiC3)(PN3)	Si(CH3)3(NP)	P(NCH)3(NSi)	N(SiC3)(PN3)	Si(CH3)3(NP)	P(NCH)3(NSi)	180.0000	0.000	1	180.0000	0.000	1	147.7917	779.293	3	146.6824	135.026	25	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	3:3:3:2:	Si-4:P-4:	C-4:C-4:C-4:N-2:	N-3:N-3:N-3:N-2:	N(SiC3)(PN3)	Si(CH3)3(NP)	P(NC[6]H)3(NSi)	N(SiC3)(PN3)	Si(CH3)3(NP)	P(NC[6]H)3(NSi)	131.6875	1.587	2	131.6875	2.520	2	147.7917	779.293	3	146.6824	135.026	25	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	3:3:4:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:N-2:	N(PC[6a]2C)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(CC[5]HH)(NSi)	N(PC[6a]2C)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(CC[5]HH)(NSi)	139.6400	0.000	1	139.6400	0.000	1	149.3508	103.884	4	149.3508	103.884	4	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	3:3:4:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:N-2:	N(PC[6a]2C)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(CHHP)(NSi)	N(PC[6a]2C)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(CHHP)(NSi)	141.7980	0.000	1	141.7980	0.000	1	149.3508	103.884	4	149.3508	103.884	4	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	3:3:4:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:N-2:	N(PC[6a]2C)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(CHHS)(NSi)	N(PC[6a]2C)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(CHHS)(NSi)	160.3590	0.000	1	160.3590	0.000	1	149.3508	103.884	4	149.3508	103.884	4	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	3:3:4:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:N-2:	N(PC[6a]2C)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(CRhHP)(NSi)	N(PC[6a]2C)(SiC3)	Si(CH3)3(NP)	P(C[6a]C[6a]2)2(CRhHP)(NSi)	155.6060	0.000	1	155.6060	0.000	1	149.3508	103.884	4	149.3508	103.884	4	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	3:4:4:2:	Si-4:P-4:	C-4:C-4:C-4:N-2:	C-3:C-4:C-4:N-2:	N(SiC3)(PC3)	Si(CH3)3(NP)	P(CC[6]H)(CCCH)2(NSi)	N(SiC3)(PC3)	Si(CH3)3(NP)	P(CC[6]H)(CCCH)2(NSi)	151.8440	0.000	1	151.8440	0.000	1	151.8440	0.000	1	151.8440	0.000	1	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	4:2:2:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	P-4:N-2:O-2:O-2:	N(POOP)(SiC3)	Si(CH3)3(NP)	P(PC3)(NSi)(OC)2	N(POOP)(SiC3)	Si(CH3)3(NP)	P(PC3)(NSi)(OC)2	159.5035	2.032	2	159.5035	4.127	2	159.5035	4.127	2	159.5035	4.127	2	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	4:3:3:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	C[4,5]-4:C[6a]-3:C[6a]-3:N-2:	N(PC[4,5]C[6a]2)(SiC3)	Si(CH3)3(NP)	P(C[4,5]Ge[4,5]N[5]P[4])(C[6a]C[6a]2)2(NSi)	N(PC[4,5]C[6a]2)(SiC3)	Si(CH3)3(NP)	P(C[4,5]Ge[4,5]N[5]P[4])(C[6a]C[6a]2)2(NSi)	146.1700	0.000	1	146.1700	0.000	1	146.1700	0.000	1	146.1700	0.000	1	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	4:4:2:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	C-4:C-4:N-2:O-2:	N(PCCO)(SiC3)	Si(CH3)3(NP)	P(CH3)2(NSi)(OP)	N(PCCO)(SiC3)	Si(CH3)3(NP)	P(CH3)2(NSi)(OP)	145.8150	0.000	1	145.8150	0.000	1	145.8150	0.000	1	145.8150	0.000	1	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	4:4:4:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	C-4:C-4:P-4:N-2:	N(PCCP)(SiC3)	Si(CH3)3(NP)	P(CH3)2(PC3)(NSi)	N(PCCP)(SiC3)	Si(CH3)3(NP)	P(CH3)2(PC3)(NSi)	149.2558	4.644	6	149.2558	21.565	6	149.2558	21.565	6	156.7031	109.290	13	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	4:4:4:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	C[5]-4:C-4:C-4:N-2:	N(PC[5]CC)(SiC3)	Si(CH3)3(NP)	P(C[5]C[5]2Fe)(CC3)2(NSi)	N(PC[5]CC)(SiC3)	Si(CH3)3(NP)	P(C[5]C[5]2Fe)(CC3)2(NSi)	170.2340	4.318	4	170.2340	18.649	4	170.2340	18.649	4	156.7031	109.290	13	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	4:4:4:2:	P-4:Si-4:	C-4:C-4:C-4:N-2:	C[6]-4:C[6]-4:C[6]-4:N-2:	N(PC[6]3)(SiC3)	Si(CH3)3(NP)	P(C[6]C[6]2H)3(NSi)	N(PC[6]3)(SiC3)	Si(CH3)3(NP)	P(C[6]C[6]2H)3(NSi)	147.9860	0.000	1	147.9860	0.000	1	147.9860	0.000	1	156.7031	109.290	13	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	4:4:4:2:	Si-4:P-4:	C-4:C-4:C-4:N-2:	C-4:C-4:C-4:N-2:	N(SiC3)(PC3)	Si(CH3)3(NP)	P(CC[6a]HH)(CCCH)2(NSi)	N(SiC3)(PC3)	Si(CH3)3(NP)	P(CC[6a]HH)(CCCH)2(NSi)	158.1240	0.000	1	158.1240	0.000	1	156.3415	6.355	2	156.7031	109.290	13	149.9924	143.552	51	149.9924	143.552	51
941	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:	4:4:4:2:	4:4:4:2:	Si-4:P-4:	C-4:C-4:C-4:N-2:	C-4:C-4:C-4:N-2:	N(SiC3)(PC3)	Si(CH3)3(NP)	P(CC[6a]SnH)(CCCH)2(NSi)	N(SiC3)(PC3)	Si(CH3)3(NP)	P(CC[6a]SnH)(CCCH)2(NSi)	154.5590	0.000	1	154.5590	0.000	1	156.3415	6.355	2	156.7031	109.290	13	149.9924	143.552	51	149.9924	143.552	51
941	880	996	0:SP2_SP3_SP3	N	Si	Si[4]	4:4:	2:4:4:4:	3:3:3:2:	Si[4]-4:Si-4:	N-2:C-4:C-4:C-4:	N-3:N[4]-3:N[4]-3:N-2:	N(Si[4]N[4]2N)(SiC3)	Si(NSi[4])(CH3)3	Si[4](NC[3x6]Si)(N[4]C[4]C)2(NSi)	N(Si[4]N[4]2N)(SiC3)	Si(NSi[4])(CH3)3	Si[4](NC[3x6]Si)(N[4]C[4]C)2(NSi){1|C<3>}	158.6100	0.000	1	158.6100	0.000	1	158.6100	0.000	1	155.9938	64.241	4	154.3694	61.373	5	154.3694	61.373	5
941	880	996	0:SP2_SP3_SP3	N	Si	Si[4]	4:4:	2:4:4:4:	3:3:3:2:	Si[4]-4:Si-4:	N-2:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-3:N-2:	N(Si[4]N[4]2N)(SiC3)	Si(NSi[4])(CH3)3	Si[4](N[4]C[4]C)2(NC[6a]2)(NSi)	N(Si[4]N[4]2N)(SiC3)	Si(NSi[4])(CH3)3	Si[4](N[4]C[4]C)2(NC[6a]2)(NSi){1|C<3>}	165.7150	0.000	1	165.7150	0.000	1	155.1217	91.798	3	155.9938	64.241	4	154.3694	61.373	5	154.3694	61.373	5
941	880	996	0:SP2_SP3_SP3	N	Si	Si[4]	4:4:	2:4:4:4:	3:3:3:2:	Si[4]-4:Si-4:	N-2:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-3:N-2:	N(Si[4]N[4]2N)(SiC3)	Si(NSi[4])(CH3)3	Si[4](N[4]C[6a]C[4])2(NCC)(NSi)	N(Si[4]N[4]2N)(SiC3)	Si(NSi[4])(CH3)3	Si[4](N[4]C[6a]C[4])2(NCC)(NSi){5|C<3>}	149.8250	3.907	2	149.8250	15.268	2	155.1217	91.798	3	155.9938	64.241	4	154.3694	61.373	5	154.3694	61.373	5
941	880	996	0:SP2_SP3_SP3	N	Si	Si[4]	4:4:	2:4:4:4:	3:3:4:2:	Si[4]-4:Si-4:	N-2:C-4:C-4:C-4:	N[4]-3:N[4]-3:Si-4:N-2:	N(Si[4]N[4]2Si)(SiC3)	Si(NSi[4])(CH3)3	Si[4](N[4]P[4]C)2(SiC3)(NSi)	N(Si[4]N[4]2Si)(SiC3)	Si(NSi[4])(CH3)3	Si[4](N[4]P[4]C)2(SiC3)(NSi){2|C<3>}	147.8720	0.000	1	147.8720	0.000	1	147.8720	0.000	1	147.8720	0.000	1	154.3694	61.373	5	154.3694	61.373	5
941	882	941	0:SP2_SP2_SP3	N	P[4]	N	3:2:	3:3:2:	2:1:	P[4]-3:N-2:	N[4]-3:N[4]-3:N-2:	N-2:N-1:	N(P[4]N[4]2)(NN)	P[4](N[4]C[6a]P[4])2(NN)	N(NP[4])(N)	N(P[4]N[4]2)(NN)	P[4](N[4]C[6a]P[4])2(NN){1|H<1>,4|C<3>}	N(NP[4])(N)	115.2210	0.000	1	115.2210	0.000	1	115.2210	0.000	1	115.2210	0.000	1	115.2210	0.000	1	115.2210	0.000	1
941	882	983	0:SP2_SP1_SP3	N	P[4]	C	3:2:	3:3:2:	2:1:	P[4]-3:C-2:	N[4]-3:N[4]-3:N-2:	N-2:O-1:	N(P[4]N[4]2)(CO)	P[4](N[4]C[6a]P[4])2(NC)	C(NP[4])(O)	N(P[4]N[4]2)(CO)	P[4](N[4]C[6a]P[4])2(NC){1|H<1>,4|C<3>}	C(NP[4])(O)	130.7710	0.000	1	130.7710	0.000	1	130.7710	0.000	1	130.7710	0.000	1	130.7710	0.000	1	130.7710	0.000	1
941	885	941	0:SP2_SP-NON_SP2	N	Ga[5]	N	4:2:	3:3:2:2:	2:1:	Ga[5]-4:N-2:	N[5]-3:N[5]-3:O-2:N-2:	N-2:N-1:	N(Ga[5]N[5]2O)(NN)	Ga[5](N[5]C[5,5]C[6a])2(OSi)(NN)	N(NGa[5])(N)	N(Ga[5]N[5]2O)(NN)	Ga[5](N[5]C[5,5]C[6a])2(OSi)(NN){6|C<3>}	N(NGa[5])(N)	125.0440	0.000	1	125.0440	0.000	1	125.0440	0.000	1	125.0440	0.000	1	125.0440	0.000	1	125.0440	0.000	1
941	887	887	0:SP2_SP3_SP3	N	S	S	3:3:	3:3:2:	4:4:2:	S-3:S-3:	C[6a]-3:C[6a]-3:N-2:	C-4:C-4:N-2:	N(SC[6a]2)(SCC)	S(C[6a]C[6a]2)2(NS)	S(CCHH)2(NS)	N(SC[6a]2)(SCC)	S(C[6a]C[6a]2)2(NS)	S(CCHH)2(NS)	108.5460	0.000	1	108.5460	0.000	1	108.5460	0.000	1	108.5460	0.000	1	110.3528	5.942	4	110.3528	5.942	4
941	887	887	0:SP2_SP3_SP3	N	S	S	3:3:	4:4:2:	4:4:2:	S-3:S-3:	C-4:C-4:N-2:	C-4:C-4:N-2:	N(SCC)2	S(CCHH)2(NS)	S(CCHH)2(NS)	N(SCC)2	S(CCHH)2(NS)	S(CCHH)2(NS)	110.9550	2.595	3	110.9550	6.736	3	110.9550	6.736	3	110.9550	6.736	3	110.3528	5.942	4	110.3528	5.942	4
941	887	909	0:SP2_SP2_SP3	N	S	S	3:2:	2:2:1:	2:2:	S-3:S-2:	N-2:N-2:Cl-1:	N-2:N-2:	N(SClN)(SN)	S(NS)2(Cl)	S(NS)2	N(SClN)(SN)	S(NS)2(Cl)	S(NS)2	119.9035	0.132	2	119.9035	0.017	2	119.9035	0.017	2	119.9035	0.017	2	119.9035	0.017	2	119.9035	0.017	2
941	887	924	0:SP2_SP-NON_SP3	N	S	Br	3:1:	3:3:2:	2:	S-3:Br-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(SC[6a]2)(Br)	S(C[6a]C[6a]2)2(NBr)	Br(NS)	N(SC[6a]2)(Br)	S(C[6a]C[6a]2)2(NBr)	Br(NS)	113.6720	0.000	1	113.6720	0.000	1	113.6720	0.000	1	113.6720	0.000	1	113.6720	0.000	1	113.6720	0.000	1
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	3:2:1:	3:3:2:	S-3:C-3:	C[6a]-3:N-2:O-1:	C-3:N-3:N-2:	N(SC[6a]O)(CCN)	S(C[6a]C[6a]2)(NC)(O)	C(CC[6a]O)(NCC)(NS)	N(SC[6a]O)(CCN)	S(C[6a]C[6a]2)(NC)(O)	C(CC[6a]O)(NCC)(NS)	114.3820	0.890	2	114.3820	0.791	2	114.3820	0.791	2	114.3820	0.791	2	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	3:2:1:	3:4:2:	C-3:S-3:	C[6a]-3:N-2:O-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(SC[6a]O)	S(C[6a]C[6a]2)(NC)(O)	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	N(CC[6a]C)(SC[6a]O)	S(C[6a]C[6a]2)(NC)(O)	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	124.9180	5.249	3	124.9180	27.555	3	124.9180	27.555	3	124.9180	27.555	3	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	3:2:1:	4:2:1:	S-3:C-3:	C[6a]-3:N-2:O-1:	C-4:N-2:H-1:	N(SC[6a]O)(CCH)	S(C[6a]C[6a]2)(NC)(O)	C(CC[6,6]HH)(NS)(H)	N(SC[6a]O)(CCH)	S(C[6a]C[6a]2)(NC)(O)	C(CC[6,6]HH)(NS)(H)	115.4990	0.000	1	115.4990	0.000	1	115.4990	0.000	1	115.4990	0.000	1	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	3:2:2:	3:2:2:	C-3:S-3:	C[6a]-3:N-2:N-2:	C[6a]-3:N-2:N-2:	N(CC[6a]N)(SC[6a]N)	S(C[6a]C[6a]2)(NC)2	C(C[6a]C[6a]2)(NS)2	N(CC[6a]N)(SC[6a]N)	S(C[6a]C[6a]2)(NC)2	C(C[6a]C[6a]2)(NS)2	114.2392	2.955	8	114.2392	8.735	8	114.2392	8.735	8	114.2392	8.735	8	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	3:3:2:	3:4:2:	S-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:C-4:N-2:	N(SC[6a]2)(CCN)	S(C[6a]C[6a]2)2(NC)	C(NPtH)(CH3)(NS)	N(SC[6a]2)(CCN)	S(C[6a]C[6a]2)2(NC)	C(NPtH)(CH3)(NS)	115.9907	1.008	3	115.9907	1.016	3	115.9907	1.016	3	115.9907	1.016	3	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	3:3:2:	4:3:2:	S-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-3:N-2:	N(SC[6a]2)(CCN)	S(C[6a]C[6a]2)2(NC)	C(CCHH)(NPtH)(NS)	N(SC[6a]2)(CCN)	S(C[6a]C[6a]2)2(NC)	C(CCHH)(NPtH)(NS)	115.5960	0.000	1	115.5960	0.000	1	115.5960	0.000	1	115.5960	0.000	1	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	3:2:1:	C-3:S-3:	C-4:N-2:O-1:	C-3:N-2:H-1:	N(CCH)(SCO)	S(CC3)(NC)(O)	C(CC[6a]S)(NS)(H)	N(CCH)(SCO)	S(CC3)(NC)(O)	C(CC[6a]S)(NS)(H)	120.6110	0.000	1	120.6110	0.000	1	120.6110	0.000	1	116.9316	3.836	8	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	3:2:1:	C-3:S-3:	C-4:N-2:O-1:	C[6]-3:N-2:H-1:	N(CC[6]H)(SCO)	S(CC3)(NC)(O)	C(C[6]C[6]2)(NS)(H)	N(CC[6]H)(SCO)	S(CC3)(NC)(O)	C(C[6]C[6]2)(NS)(H)	118.1260	0.000	1	118.1260	0.000	1	118.1260	0.000	1	116.9316	3.836	8	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	3:2:1:	C-3:S-3:	C-4:N-2:O-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(SCO)	S(CC3)(NC)(O)	C(C[6a]C[6a]2)(NS)(H)	N(CC[6a]H)(SCO)	S(CC3)(NC)(O)	C(C[6a]C[6a]2)(NS)(H)	116.5855	1.208	4	116.5855	1.460	4	116.4432	1.196	5	116.9316	3.836	8	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	3:2:1:	C-3:S-3:	C-4:N-2:O-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(SCO)	S(CCCH)(NC)(O)	C(C[6a]C[6a]2)(NS)(H)	N(CC[6a]H)(SCO)	S(CCCH)(NC)(O)	C(C[6a]C[6a]2)(NS)(H)	115.8740	0.000	1	115.8740	0.000	1	116.4432	1.196	5	116.9316	3.836	8	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	3:2:1:	S-3:C-3:	C[5,6]-4:N-2:O-1:	C[6a]-3:N-2:H-1:	N(SC[5,6]O)(CC[6a]H)	S(C[5,6]C[5,5,6]C[5,6]H)(NC)(O)	C(C[6a]C[6a]2)(NS)(H)	N(SC[5,6]O)(CC[6a]H)	S(C[5,6]C[5,5,6]C[5,6]H)(NC)(O)	C(C[6a]C[6a]2)(NS)(H)	114.5000	0.000	1	114.5000	0.000	1	114.5000	0.000	1	116.9316	3.836	8	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	3:2:2:	C-3:S-3:	C-4:N-2:O-1:	C-3:N-2:O-2:	N(CCO)(SCO)	S(CC3)(NC)(O)	C(CCN)(NS)(OC)	N(CCO)(SCO)	S(CC3)(NC)(O)	C(CCN)(NS)(OC)	121.9210	0.000	1	121.9210	0.000	1	122.4012	1.424	6	122.4012	1.424	6	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	3:2:2:	C-3:S-3:	C-4:N-2:O-1:	C-3:N-2:O-2:	N(CCO)(SCO)	S(CC3)(NC)(O)	C(CC[6a]N)(NS)(OC)	N(CCO)(SCO)	S(CC3)(NC)(O)	C(CC[6a]N)(NS)(OC)	122.4972	1.308	5	122.4972	1.711	5	122.4012	1.424	6	122.4012	1.424	6	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	3:3:2:	C-3:S-3:	C-4:N-2:O-1:	C[5a]-3:C-3:N-2:	N(CC[5a]C)(SCO)	S(CC3)(NC)(O)	C(C[5a]C[5a]S[5a])(COO)(NS)	N(CC[5a]C)(SCO)	S(CC3)(NC)(O)	C(C[5a]C[5a]S[5a])(COO)(NS)	123.3225	0.736	2	123.3225	0.542	2	123.3225	0.542	2	120.5167	13.108	9	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	3:3:2:	C-3:S-3:	C-4:N-2:O-1:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(SCO)	S(CC3)(NC)(O)	C(C[6a]C[6a]2)(COO)(NS)	N(CC[6a]C)(SCO)	S(CC3)(NC)(O)	C(C[6a]C[6a]2)(COO)(NS)	121.6760	1.861	2	121.6760	3.464	2	121.6760	3.464	2	120.5167	13.108	9	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	3:3:2:	C-3:S-3:	C-4:N-2:O-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(SCO)	S(CC3)(NC)(O)	C(C[6a]C[6a]2)2(NS)	N(CC[6a]2)(SCO)	S(CC3)(NC)(O)	C(C[6a]C[6a]2)2(NS)	118.9306	4.179	5	118.9306	17.462	5	118.9306	17.462	5	120.5167	13.108	9	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	3:4:2:	C-3:S-3:	C-4:N-2:O-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(SCO)	S(CC3)(NC)(O)	C(C[6a]C[6a]2)(CC3)(NS)	N(CC[6a]C)(SCO)	S(CC3)(NC)(O)	C(C[6a]C[6a]2)(CC3)(NS)	116.6512	0.760	5	116.6512	0.578	5	120.1503	21.097	10	120.1503	21.097	10	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	3:4:2:	C-3:S-3:	C-4:N-2:O-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(SCO)	S(CC3)(NC)(O)	C(C[6a]C[6a]2)(CCHH)(NS)	N(CC[6a]C)(SCO)	S(CC3)(NC)(O)	C(C[6a]C[6a]2)(CCHH)(NS)	127.8850	0.000	1	127.8850	0.000	1	120.1503	21.097	10	120.1503	21.097	10	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	3:4:2:	C-3:S-3:	C-4:N-2:O-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(SCO)	S(CC3)(NC)(O)	C(C[6a]C[6a]2)(CFFH)(NS)	N(CC[6a]C)(SCO)	S(CC3)(NC)(O)	C(C[6a]C[6a]2)(CFFH)(NS)	128.2150	0.000	1	128.2150	0.000	1	120.1503	21.097	10	120.1503	21.097	10	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	3:4:2:	C-3:S-3:	C-4:N-2:O-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(SCO)	S(CC3)(NC)(O)	C(C[6a]C[6a]2)(CH3)(NS)	N(CC[6a]C)(SCO)	S(CC3)(NC)(O)	C(C[6a]C[6a]2)(CH3)(NS)	120.7157	0.510	3	120.7157	0.260	3	120.1503	21.097	10	120.1503	21.097	10	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	4:2:1:	C-3:S-3:	C-4:N-2:O-1:	C-4:N-2:H-1:	N(CCH)(SCO)	S(CC3)(NC)(O)	C(CCHN)(NS)(H)	N(CCH)(SCO)	S(CC3)(NC)(O)	C(CCHN)(NS)(H)	117.4600	0.962	2	117.4600	0.925	2	117.4600	0.925	2	116.6287	2.536	3	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	4:2:1:	C-3:S-3:	C-4:N-2:O-1:	C[5]-4:N-2:H-1:	N(CC[5]H)(SCO)	S(CC3)(NC)(O)	C(C[5]C[5]2H)(NS)(H)	N(CC[5]H)(SCO)	S(CC3)(NC)(O)	C(C[5]C[5]2H)(NS)(H)	114.9660	0.000	1	114.9660	0.000	1	114.9660	0.000	1	116.6287	2.536	3	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	4:2:2:	C-3:S-3:	C-4:N-2:O-1:	C-4:N-2:O-2:	N(CCO)(SCO)	S(CC3)(NC)(O)	C(CCCH)(NS)(OC)	N(CCO)(SCO)	S(CC3)(NC)(O)	C(CCCH)(NS)(OC)	119.7813	2.790	3	119.7813	7.782	3	123.2594	14.143	9	122.8233	14.473	10	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	4:2:2:	C-3:S-3:	C-4:N-2:O-1:	C-4:N-2:O-2:	N(CCO)(SCO)	S(CC3)(NC)(O)	C(CCHS)(NS)(OC)	N(CCO)(SCO)	S(CC3)(NC)(O)	C(CCHS)(NS)(OC)	127.4100	0.000	1	127.4100	0.000	1	123.2594	14.143	9	122.8233	14.473	10	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	4:2:2:	C-3:S-3:	C-4:N-2:O-1:	C-4:N-2:O-2:	N(CCO)(SCO)	S(CC3)(NC)(O)	C(CC[6a]CN)(NS)(OC)	N(CCO)(SCO)	S(CC3)(NC)(O)	C(CC[6a]CN)(NS)(OC)	123.4920	0.000	1	123.4920	0.000	1	123.2594	14.143	9	122.8233	14.473	10	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	4:2:2:	C-3:S-3:	C-4:N-2:O-1:	C-4:N-2:O-2:	N(CCO)(SCO)	S(CC3)(NC)(O)	C(CC[6a]C[6]H)(NS)(OC)	N(CCO)(SCO)	S(CC3)(NC)(O)	C(CC[6a]C[6]H)(NS)(OC)	124.8835	0.904	2	124.8835	0.818	2	123.2594	14.143	9	122.8233	14.473	10	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	4:2:2:	C-3:S-3:	C-4:N-2:O-1:	C-4:N-2:O-2:	N(CCO)(SCO)	S(CC3)(NC)(O)	C(CC[6a]HN)(NS)(OC)	N(CCO)(SCO)	S(CC3)(NC)(O)	C(CC[6a]HN)(NS)(OC)	128.7830	0.000	1	128.7830	0.000	1	123.2594	14.143	9	122.8233	14.473	10	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	4:2:2:	C-3:S-3:	C-4:N-2:O-1:	C-4:N-2:O-2:	N(CCO)(SCO)	S(CC3)(NC)(O)	C(CC[6a]HS)(NS)(OC)	N(CCO)(SCO)	S(CC3)(NC)(O)	C(CC[6a]HS)(NS)(OC)	120.5390	0.000	1	120.5390	0.000	1	123.2594	14.143	9	122.8233	14.473	10	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	4:2:2:	C-3:S-3:	C-4:N-2:O-1:	C[3]-4:N-2:O-2:	N(CC[3]O)(SCO)	S(CC3)(NC)(O)	C(C[3]C[6a]C[3]O[3])(NS)(OC)	N(CC[3]O)(SCO)	S(CC3)(NC)(O)	C(C[3]C[6a]C[3]O[3])(NS)(OC)	118.8980	0.000	1	118.8980	0.000	1	118.8980	0.000	1	122.8233	14.473	10	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:2:1:	4:3:2:	C-3:S-3:	C-4:N-2:O-1:	C-4:C-3:N-2:	N(CCC)(SCO)	S(CC3)(NC)(O)	C(CF3)(CCH)(NS)	N(CCC)(SCO)	S(CC3)(NC)(O)	C(CF3)(CCH)(NS)	125.5830	0.000	1	125.5830	0.000	1	125.5830	0.000	1	125.5830	0.000	1	119.2063	20.955	66	119.2063	20.955	66
941	887	930	0:SP2_SP2_SP3	N	S	C	3:3:	4:4:2:	2:2:1:	C-3:S-3:	C-4:C-4:N-2:	N-2:O-2:O-1:	N(COO)(SCC)	S(CC3)(CH3)(NC)	C(NS)(OC)(O)	N(COO)(SCC)	S(CC3)(CH3)(NC)	C(NS)(OC)(O)	111.3990	0.000	1	111.3990	0.000	1	111.3990	0.000	1	111.3990	0.000	1	119.2063	20.955	66	119.2063	20.955	66