490	762	952	0:SP3_SP2_SP3	C	C[6]	S	3:3:4:1:	3:3:4:	4:1:1:1:	C[6]-3:C[6]-3:S-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:O-1:O-1:O-1:	C(C[6]C[6]N[6])2(SO3)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]HS)	S(CC[6]2H)(O)3	C(C[6]C[6]N[6])2(SO3)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]HS){1|C<3>,2|H<1>}	S(CC[6]2H)(O)3	113.2350	2.546	2	113.2350	6.480	2	112.4113	2.360	6	112.4113	2.360	6	112.7326	2.689	7	112.7326	2.689	7
490	762	952	0:SP3_SP2_SP3	C	C[6]	S	3:3:4:1:	3:3:4:	4:1:1:1:	C[6]-3:C[6]-3:S-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:O-1:O-1:O-1:	C(C[6]C[6]N[6])2(SO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HS)	S(CC[6]2H)(O)3	C(C[6]C[6]N[6])2(SO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HS){1|C<3>,2|H<1>}	S(CC[6]2H)(O)3	111.9995	1.046	4	111.9995	1.095	4	112.4113	2.360	6	112.4113	2.360	6	112.7326	2.689	7	112.7326	2.689	7
490	762	952	0:SP3_SP2_SP3	C	C[6]	S	3:4:1:1:	3:3:4:	3:4:1:1:	C[6]-3:S-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6]C[6]N[6])(SC[6a]OO)(H)2	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(CHHS)	S(C[6a]C[6a]2)(CC[6]HH)(O)2	C(C[6]C[6]N[6])(SC[6a]OO)(H)2	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(CHHS){2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6]HH)(O)2	114.6600	0.000	1	114.6600	0.000	1	114.6600	0.000	1	114.6600	0.000	1	112.7326	2.689	7	112.7326	2.689	7
490	762	956	0:SP3_SP2_SP2	C	C[6,6]	N	3:4:3:1:	4:3:4:	3:4:1:	C[6,6]-3:C-4:N-3:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(NC[6a]H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN)	N(C[6a]C[6a]2)(CC[6,6]CH)(H)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(NC[6a]H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN){3|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CC[6,6]CH)(H)	112.8880	0.262	2	112.8880	0.068	2	112.8880	0.068	2	112.8880	0.068	2	112.8880	0.068	2	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:2:4:	3:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C[6a]-3:C-4:C-4:	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6])(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6])(CHHN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	115.4880	0.000	1	115.4880	0.000	1	114.9550	0.568	2	114.9550	0.568	2	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:2:4:	3:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C[6a]-3:C-4:C-4:	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]N[6]C)(N[6]C[6])(CHHN)	N(C[6a]C[6a]2)(CC[6]HH)(CH3)	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]N[6]C)(N[6]C[6])(CHHN){1|Cd<5>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6]HH)(CH3)	114.4220	0.000	1	114.4220	0.000	1	114.9550	0.568	2	114.9550	0.568	2	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:2:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C-4:C-3:H-1:	C(C[6]N[6]2)(NCH)(H)2	C[6](N[6]C[6]Zn)(N[6]C[6])(CHHN)	N(CC[6]HH)(CNN)(H)	C(C[6]N[6]2)(NCH)(H)2	C[6](N[6]C[6]Zn)(N[6]C[6])(CHHN){1|H<1>,2|C<3>}	N(CC[6]HH)(CNN)(H)	112.2410	3.390	2	112.2410	11.491	2	112.2410	11.491	2	112.2410	11.491	2	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	N(C[6]C[6]N[6])(CC[6]HH)(H)	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6]HH)(H)	112.7735	3.177	2	112.7735	10.094	2	114.3252	4.722	5	113.9131	3.546	11	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)2(CHHN)	N(C[6]C[6]N[6])(CC[6]HH)(H)	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6]HH)(H)	115.3597	0.620	3	115.3597	0.385	3	114.3252	4.722	5	113.9131	3.546	11	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6]C[6]2)(NC[6a]H)(H)2	C[6](C[6]C[6]H)2(CHHN)	N(C[6a]C[5a,6a]N[6a])(CC[6]HH)(H)	C(C[6]C[6]2)(NC[6a]H)(H)2	C[6](C[6]C[6]H)2(CHHN){1|C<2>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(CC[6]HH)(H)	111.1420	0.000	1	111.1420	0.000	1	112.2015	2.245	2	113.9131	3.546	11	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6]C[6]2)(NC[6a]H)(H)2	C[6](C[6]C[6]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6]HH)(H)	C(C[6]C[6]2)(NC[6a]H)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]HH)(H)	113.2610	0.000	1	113.2610	0.000	1	112.2015	2.245	2	113.9131	3.546	11	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6]C[6]N[6])(NC[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N(C[6]C[6]N[6])(CC[6]HH)(H)	C(C[6]C[6]N[6])(NC[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6]HH)(H)	115.3495	1.073	2	115.3495	1.151	2	115.3495	1.151	2	113.9131	3.546	11	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6]C[6]N[6])(NC[6a]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N(C[6a]C[6a]2)(CC[6]HH)(H)	C(C[6]C[6]N[6])(NC[6a]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]HH)(H)	113.1580	1.093	2	113.1580	1.195	2	113.1580	1.195	2	113.9131	3.546	11	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6a]-3:C-4:N-3:	C(C[6]C[6]N[6])(NC[6a]N)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	N(C[6a]C[6a]2)(CC[6]HH)(NPdC)	C(C[6]C[6]N[6])(NC[6a]N)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]HH)(NPdC)	116.8590	0.000	1	116.8590	0.000	1	116.8590	0.000	1	116.8590	0.000	1	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6]C[6]2)(NC[6a]C)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]Br)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]2)(NC[6a]C)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]Br)(CHHN){1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	110.2240	0.000	1	110.2240	0.000	1	113.7330	24.626	2	114.2628	4.023	9	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6]C[6]2)(NC[6a]C)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]Pd)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]2)(NC[6a]C)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]Pd)(CHHN){1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	117.2420	0.000	1	117.2420	0.000	1	113.7330	24.626	2	114.2628	4.023	9	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:C-4:	C(C[6]C[6]N[6])(NC[6]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N(C[6]C[6]2)(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]N[6])(NC[6]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(CC[6]HH)	114.9775	0.221	2	114.9775	0.049	2	114.9775	0.049	2	114.2628	4.023	9	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	115.3310	0.000	1	115.3310	0.000	1	114.0897	2.412	3	114.2628	4.023	9	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N(C[6a]N[6a]2)(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)(CC[6]HH)	113.4690	1.585	2	113.4690	2.513	2	114.0897	2.412	3	114.2628	4.023	9	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	N(C[6a]C[6a]N[6a])(CC[6]HH)2	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6]HH)2	114.3375	1.001	2	114.3375	1.001	2	114.3375	1.001	2	114.2628	4.023	9	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	N(CC[6]HH)(CCO)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<5>,1|C<3>,1|H<1>}	N(CC[6]HH)(CCO)(H)	115.4380	0.000	1	115.4380	0.000	1	114.2307	1.742	40	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(CC[6a]O)(H)	112.2160	0.000	1	113.5260	3.432	2	114.2307	1.742	40	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Co<6>,1|C<3>,1|H<1>}	N(CC[6]HH)(CC[6a]O)(H)	114.8360	0.000	1	113.5260	3.432	2	114.2307	1.742	40	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	N(CC[6]HH)(CNO)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(CNO)(H)	113.8490	0.843	2	114.2879	1.318	25	114.2307	1.742	40	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	N(CC[6]HH)(CNO)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Ni<6>,1|C<3>,1|H<1>}	N(CC[6]HH)(CNO)(H)	114.1994	0.947	9	114.2879	1.318	25	114.2307	1.742	40	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	N(CC[6]HH)(CNO)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Ru<6>,1|C<3>,1|H<1>}	N(CC[6]HH)(CNO)(H)	110.9370	0.000	1	114.2879	1.318	25	114.2307	1.742	40	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	N(CC[6]HH)(CNO)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<4>,1|C<3>,1|H<1>}	N(CC[6]HH)(CNO)(H)	114.8740	0.000	1	114.2879	1.318	25	114.2307	1.742	40	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	N(CC[6]HH)(CNO)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<6>,1|C<3>,1|H<1>}	N(CC[6]HH)(CNO)(H)	114.6578	0.957	12	114.2879	1.318	25	114.2307	1.742	40	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	N(CC[6]HH)(CNS)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<4>,1|C<3>,1|H<1>}	N(CC[6]HH)(CNS)(H)	113.0930	0.000	1	113.0930	0.000	1	114.2307	1.742	40	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN)	N(CC[6]HH)(CCO)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6]HH)(CCO)(H)	113.2330	1.095	4	114.0318	1.394	8	114.2307	1.742	40	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN)	N(CC[6]HH)(CCO)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	N(CC[6]HH)(CCO)(H)	114.8305	0.592	4	114.0318	1.394	8	114.2307	1.742	40	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN)	N(CC[6]HH)(CC[5]O)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	N(CC[6]HH)(CC[5]O)(H)	116.7940	0.000	1	116.7940	0.000	1	114.2307	1.742	40	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN)	N(CC[6]HH)(CNO)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	N(CC[6]HH)(CNO)(H)	116.1350	0.000	1	116.1350	0.000	1	114.2307	1.742	40	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN)	N(CC[6]HH)(CNS)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	N(CC[6]HH)(CNS)(H)	111.2670	0.000	1	111.2670	0.000	1	114.2307	1.742	40	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N(CC[6]HH)(CCO)(H)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(CCO)(H)	112.9175	0.514	2	112.9175	0.264	2	113.3650	0.469	11	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N(CC[6]HH)(CC[6]O)(H)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(CC[6]O)(H)	113.5180	0.000	2	113.5180	0.000	2	113.3650	0.469	11	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(CC[6a]O)(H)	113.2980	0.000	1	113.2980	0.000	1	113.3650	0.469	11	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N(CC[6]HH)(CNO)(H)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6]HH)(CNO)(H)	113.4743	0.883	6	113.4743	0.779	6	113.3650	0.469	11	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(CC[5]O)(H)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(CC[5]O)(H)	111.2935	1.122	2	111.2935	1.259	2	112.5959	2.475	15	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(CC[6a]O)(H)	111.3392	1.518	4	111.3392	2.304	4	112.5959	2.475	15	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(CCO)(H)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(CCO)(H)	113.4434	1.364	5	113.4434	1.860	5	112.5959	2.475	15	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(CC[6]O)(H)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(CC[6]O)(H)	112.4520	0.000	1	112.4520	0.000	1	112.5959	2.475	15	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(CC[5]O)(H)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(CC[5]O)(H)	114.7530	0.000	1	114.7530	0.000	1	112.5959	2.475	15	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(CC[6a]O)(H)	113.2860	0.348	2	113.2860	0.121	2	112.5959	2.475	15	113.7149	2.124	66	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-4:C-3:	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	N(CC[5a]HH)(CC[6]HH)(CSS)	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Cd<5>,1|C<3>,1|H<1>}	N(CC[5a]HH)(CC[6]HH)(CSS)	113.4730	0.000	1	113.4730	0.000	1	113.4730	0.000	1	113.3957	0.060	4	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-3:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	N(CC[6]HH)2(CCO)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)2(CCO)	113.2370	0.259	2	113.2370	0.067	2	113.3700	0.087	3	113.3957	0.060	4	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:3:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-3:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	N(CC[6a]HH)(CC[6]HH)(CNS)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]HH)(CNS)	113.6360	0.000	1	113.6360	0.000	1	113.3700	0.087	3	113.3957	0.060	4	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	P-4:P-4:C-4:	C(C[6]C[6]2)(NPP)(H)2	C[6](C[6]C[6]H)2(CHHN)	N(PC[6a]2Fe)2(CC[6]HH)	C(C[6]C[6]2)(NPP)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	N(PC[6a]2Fe)2(CC[6]HH)	117.4200	0.000	1	117.4200	0.000	1	117.4200	0.000	1	113.0131	5.210	7	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:C-4:S-4:	C(C[6]C[6]N[6])(NCS)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N(CC[6a]HH)(CC[6]HH)(SC[6]OO)	C(C[6]C[6]N[6])(NCS)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]HH)(SC[6]OO)	110.7920	0.000	1	110.7920	0.000	1	110.7920	0.000	1	113.0131	5.210	7	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:S-4:	C(C[6]C[6]N[6])(NCS)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	N(CC[6]HH)2(SN[6]OO)	C(C[6]C[6]N[6])(NCS)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)2(SN[6]OO)	112.3650	0.604	2	112.3650	0.365	2	112.3650	0.365	2	113.0131	5.210	7	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:P-4:C-4:	C(C[6]C[6]N[6])(NCP)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(PCoNN)(CCHH)	C(C[6]C[6]N[6])(NCP)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(PCoNN)(CCHH)	111.0970	0.000	1	111.0970	0.000	1	112.7167	2.720	3	113.0131	5.210	7	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:P-4:C-4:	C(C[6]C[6]N[6])(NCP)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(PNiNN)(CCHH)	C(C[6]C[6]N[6])(NCP)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(PNiNN)(CCHH)	113.5265	1.227	2	113.5265	1.505	2	112.7167	2.720	3	113.0131	5.210	7	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	4:3:4:	3:4:4:	C[6]-3:N-3:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6]C[3,6]C[6])(NC[6a]C)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CHHN)	N(C[6a]C[6a]2)(CC[6]HH)(CH3)	C(C[6]C[3,6]C[6])(NC[6a]C)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CHHN){2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[6]HH)(CH3)	109.1720	0.000	1	109.1720	0.000	1	109.1720	0.000	1	109.1720	0.000	1	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	4:3:4:	4:1:1:	C[6]-3:N-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:O-1:O-1:	C(C[6]C[6]2)(NOO)(H)2	C[6](C[6]C[6]HS)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(O)2	C(C[6]C[6]2)(NOO)(H)2	C[6](C[6]C[6]HS)(C[6]C[6]H)(CHHN){1|C<4>,4|H<1>}	N(CC[6]HH)(O)2	114.9440	0.000	1	114.9440	0.000	1	114.9440	0.000	1	114.9440	0.000	1	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	4:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(CCO)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<3>,3|H<1>}	N(CC[6]HH)(CCO)(H)	115.1060	0.000	1	115.1060	0.000	1	113.6305	4.354	2	113.6305	4.354	2	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:1:1:	4:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(COO)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<4>,4|H<1>}	N(CC[6]HH)(COO)(H)	112.1550	0.000	1	112.1550	0.000	1	113.6305	4.354	2	113.6305	4.354	2	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:3:1:	3:2:4:	4:1:1:	C[6]-3:N-3:N-3:Cl-1:	N[6]-3:N[6]-2:C-4:	C-4:O-1:O-1:	C(C[6]N[6]2)(NOO)2(Cl)	C[6](N[6]C[6]H)(N[6]C[6])(CClNN)	N(CC[6]ClN)(O)2	C(C[6]N[6]2)(NOO)2(Cl)	C[6](N[6]C[6]H)(N[6]C[6])(CClNN){1|N<3>,4|H<1>}	N(CC[6]ClN)(O)2	108.7460	1.509	2	108.7460	2.277	2	108.8170	1.931	4	109.8396	5.087	8	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:3:1:	3:2:4:	4:1:1:	C[6]-3:N-3:N-3:Cl-1:	N[6]-3:N[6]-2:C-4:	C-4:O-1:O-1:	C(C[6]N[6]2)(NOO)2(Cl)	C[6](N[6]C[6]N)(N[6]C[6])(CClNN)	N(CC[6]ClN)(O)2	C(C[6]N[6]2)(NOO)2(Cl)	C[6](N[6]C[6]N)(N[6]C[6])(CClNN){1|N<3>,4|H<1>}	N(CC[6]ClN)(O)2	108.8880	1.870	2	108.8880	3.495	2	108.8170	1.931	4	109.8396	5.087	8	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:3:1:	3:2:4:	4:1:1:	C[6]-3:N-3:N-3:H-1:	N[6]-3:N[6]-2:C-4:	C-4:O-1:O-1:	C(C[6]N[6]2)(NOO)2(H)	C[6](N[6]C[6]N)(N[6]C[6])(CHNN)	N(CC[6]HN)(O)2	C(C[6]N[6]2)(NOO)2(H)	C[6](N[6]C[6]N)(N[6]C[6])(CHNN){1|N<3>,4|H<1>}	N(CC[6]HN)(O)2	110.8623	2.674	4	110.8623	7.150	4	110.8623	7.150	4	109.8396	5.087	8	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]N[6])2(NCH)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN)	N(CC[6]2H)(CC[6a]O)(H)	C(C[6]C[6]N[6])2(NCH)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6]2H)(CC[6a]O)(H)	114.0242	1.523	4	114.0242	2.320	4	113.5569	1.482	8	112.7317	3.800	12	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]N[6])2(NCH)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]HN)	N(CC[6]2H)(CCO)(H)	C(C[6]C[6]N[6])2(NCH)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6]2H)(CCO)(H)	113.6340	0.379	2	113.6340	0.144	2	113.5569	1.482	8	112.7317	3.800	12	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]N[6])2(NCH)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HN)	N(CC[6]2H)(CC[6a]O)(H)	C(C[6]C[6]N[6])2(NCH)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6]2H)(CC[6a]O)(H)	112.5450	0.583	2	112.5450	0.339	2	113.5569	1.482	8	112.7317	3.800	12	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]HN)	N(CC[6a]C[6]H)(CCO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]HN){1|C<3>,1|C<4>,1|O<1>}	N(CC[6a]C[6]H)(CCO)(H)	111.0025	3.867	2	111.0025	14.955	2	111.0025	14.955	2	112.7317	3.800	12	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]HN)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]HN){1|C<4>,4|H<1>}	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	111.1605	0.315	2	111.1605	0.099	2	111.1605	0.099	2	112.7317	3.800	12	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6]-3:C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-4:	S-4:C-4:H-1:	C(C[6]C[6]N[6])2(NHS)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HN)	N(SC[6a]OO)(CC[6]2H)(H)	C(C[6]C[6]N[6])2(NHS)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6]2H)(H)	112.8545	4.209	2	112.8545	17.719	2	112.8545	17.719	2	112.8545	17.719	2	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:3:1:	3:3:4:	4:4:2:	C[6]-3:C[6a]-3:N-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:O-2:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN)	N(CC[6a]C[6]H)(CC3)(ONi)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(CC3)(ONi)	113.1750	0.000	1	113.1750	0.000	1	113.1750	0.000	1	113.1750	0.000	1	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:3:2:	3:3:4:	4:3:3:	C[6]-3:C[6a]-3:N-3:C-2:	C[6]-3:N[6]-3:C-4:	C-4:C-3:N-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCN)(CN)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CN)	N(CC[6a]C[6]C)(COO)(NCC)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCN)(CN)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CN){1|C<3>,2|H<1>}	N(CC[6a]C[6]C)(COO)(NCC)	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:3:3:	3:2:4:	4:1:1:	C[6]-3:N-3:N-3:N-3:	N[6]-3:N[6]-2:C-4:	C-4:O-1:O-1:	C(C[6]N[6]2)(NOO)3	C[6](N[6]C[6]H)(N[6]C[6])(CN3)	N(CC[6]NN)(O)2	C(C[6]N[6]2)(NOO)3	C[6](N[6]C[6]H)(N[6]C[6])(CN3){1|N<3>,4|H<1>}	N(CC[6]NN)(O)2	112.6148	3.305	6	112.6148	10.924	6	112.6006	12.623	12	112.6006	12.623	12	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:3:3:3:	3:2:4:	4:1:1:	C[6]-3:N-3:N-3:N-3:	N[6]-3:N[6]-2:C-4:	C-4:O-1:O-1:	C(C[6]N[6]2)(NOO)3	C[6](N[6]C[6]N)(N[6]C[6])(CN3)	N(CC[6]NN)(O)2	C(C[6]N[6]2)(NOO)3	C[6](N[6]C[6]N)(N[6]C[6])(CN3){1|C<4>,4|H<1>}	N(CC[6]NN)(O)2	112.5863	4.104	6	112.5863	16.846	6	112.6006	12.623	12	112.6006	12.623	12	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:4:3:1:	2:2:4:	4:3:1:	C[6]-3:C-4:N-3:H-1:	N[6]-2:O[6]-2:C-4:	C-4:C-3:H-1:	C(C[6]N[6]O[6])(CCHH)(NCH)(H)	C[6](N[6]C[6])(O[6]C[6])(CCHN)	N(CC[6]CH)(COO)(H)	C(C[6]N[6]O[6])(CCHH)(NCH)(H)	C[6](N[6]C[6])(O[6]C[6])(CCHN){1|C<3>,2|C<4>,2|H<1>}	N(CC[6]CH)(COO)(H)	107.3720	0.000	1	107.3720	0.000	1	107.3720	0.000	1	107.3720	0.000	1	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	3:4:4:3:	2:2:4:	4:3:1:	C[6]-3:C-4:C-4:N-3:	N[6]-2:O[6]-2:C-4:	C-4:C-3:H-1:	C(C[6]N[6]O[6])(CH3)2(NCH)	C[6](N[6]C[6])(O[6]C[6])(CCCN)	N(CC[6]CC)(CC[5]O)(H)	C(C[6]N[6]O[6])(CH3)2(NCH)	C[6](N[6]C[6])(O[6]C[6])(CCCN){1|C<4>,4|H<1>}	N(CC[6]CC)(CC[5]O)(H)	105.6470	0.000	1	105.6470	0.000	1	105.6470	0.000	1	105.6470	0.000	1	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP2	C	C[6]	N	4:3:3:1:	4:3:4:	4:1:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:O-1:O-1:	C(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HN)	N(CC[6]2H)(O)2	C(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HN){1|C<4>,4|H<1>}	N(CC[6]2H)(O)2	108.4120	0.000	1	108.4120	0.000	1	108.4120	0.000	1	108.4120	0.000	1	113.1456	5.481	145	113.1421	5.407	147
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	N(C[6]C[6]N[6])(CC[6]HH)(H)	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6]HH)(H)	113.2190	0.000	1	113.2190	0.000	1	113.2190	0.000	1	114.0500	1.381	2	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	3:4:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:	C(C[6]C[6]N[6])(NC[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N(C[6]C[6]N[6])(CC[6]HH)(H)	C(C[6]C[6]N[6])(NC[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6]HH)(H)	114.8810	0.000	1	114.8810	0.000	1	114.8810	0.000	1	114.0500	1.381	2	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	3:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N(C[6a]C[6a]2)(CC[6]HH)2	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]HH)2	112.3515	1.477	2	112.3515	2.182	2	112.3515	2.182	2	112.3515	2.182	2	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:3:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	N(CC[6]HH)(CNO)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Ru<6>,1|C<3>,1|H<1>}	N(CC[6]HH)(CNO)(H)	113.5920	0.000	1	113.5920	0.000	1	113.5920	0.000	1	113.5920	0.000	1	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6]-3:N-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	S-4:C-4:H-1:	C(C[6]C[6,6]C[6])(NHS)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CHHN)	N(SC[6a]OO)(CC[6]HH)(H)	C(C[6]C[6,6]C[6])(NHS)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CHHN){1|O<2>,3|H<1>,4|C<4>}	N(SC[6a]OO)(CC[6]HH)(H)	111.6950	0.000	1	111.6950	0.000	1	111.6950	0.000	1	113.2024	6.461	7	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-4:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN)	N(CC[6]HH)(CCHH)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6]HH)(CCHH)(H)	118.1360	0.000	1	113.9805	34.536	2	113.8690	17.305	3	113.2024	6.461	7	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-4:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN)	N(CC[6]HH)(CCHH)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	N(CC[6]HH)(CCHH)(H)	109.8250	0.000	1	113.9805	34.536	2	113.8690	17.305	3	113.2024	6.461	7	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-4:H-1:	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN)	N(CC[6a]HH)(CC[6]HH)(H)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	N(CC[6a]HH)(CC[6]HH)(H)	113.6460	0.000	1	113.6460	0.000	1	113.8690	17.305	3	113.2024	6.461	7	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	S-4:C-4:H-1:	C(C[6]C[6]N[6])(NHS)(H)2	C[6](C[6]C[6]O)(N[6]C[6]C)(CHHN)	N(SC[6a]OO)(CC[6]HH)(H)	C(C[6]C[6]N[6])(NHS)(H)2	C[6](C[6]C[6]O)(N[6]C[6]C)(CHHN){1|C<3>,1|C<4>,1|O<2>}	N(SC[6a]OO)(CC[6]HH)(H)	112.8360	0.000	1	112.8360	0.000	1	112.8360	0.000	1	113.2024	6.461	7	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:Si-4:H-1:	C(C[6]C[6]N[6])(NSiH)(H)2	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(SiC3)(H)	C(C[6]C[6]N[6])(NSiH)(H)2	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(SiC3)(H)	113.1395	0.639	2	113.1395	0.408	2	113.1395	0.408	2	113.2024	6.461	7	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	N(CC[6]HH)(CCHH)2	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|C<4>,2|C<3>}	N(CC[6]HH)(CCHH)2	111.8140	1.310	2	111.8140	1.715	2	111.6607	1.107	8	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	N(CC[6a]HH)2(CC[6]HH)	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Fe<6>,1|C<3>,1|H<1>}	N(CC[6a]HH)2(CC[6]HH)	111.5334	1.204	5	111.5334	1.450	5	111.6607	1.107	8	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]H)2(CHHN)	N(CC[5a]HH)2(CC[6]HH)	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	N(CC[5a]HH)2(CC[6]HH)	111.9910	0.000	1	111.9910	0.000	1	111.6607	1.107	8	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N(CC[6]HH)(CCHH)(CH3)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(CCHH)(CH3)	111.2900	0.000	1	111.2900	0.000	1	112.6079	1.003	31	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N(CC[6]HH)2(CCHH)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)2(CCHH)	111.8785	0.849	4	111.8785	0.721	4	112.6079	1.003	31	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N(CC[6]HH)2(CHHP)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)2(CHHP)	111.9080	0.014	2	111.9080	0.000	2	112.6079	1.003	31	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N(CC[6]HH)3	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)3	112.6467	0.865	21	112.6467	0.749	21	112.6079	1.003	31	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N(CC[6a]HH)(CC[6]HH)(CCHH)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]HH)(CCHH)	114.3830	0.000	1	114.3830	0.000	1	112.6079	1.003	31	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N(CC[6a]HH)(CC[6]HH)2	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]HH)2	114.1310	0.542	2	114.1310	0.293	2	112.6079	1.003	31	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:S-4:C-4:	C(C[6]C[6]N[6])(NCS)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N(CC[6a]HH)(SC[6a]OO)(CC[6]HH)	C(C[6]C[6]N[6])(NCS)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CC[6]HH)	112.6810	0.000	1	112.6810	0.000	1	112.6810	0.000	1	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C[6]-4:C-4:C-4:	C(C[6]N[5,6]C[6])(NC[6]C)(H)2	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(CHHN)	N(C[6]C[6]2H)(CC[6]HH)(CCHH)	C(C[6]N[5,6]C[6])(NC[6]C)(H)2	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>,3|O<2>}	N(C[6]C[6]2H)(CC[6]HH)(CCHH)	111.4520	0.000	1	111.4520	0.000	1	111.4520	0.000	1	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6,6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]N[6,6]C[6])(NCC)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(CHHN)	N(CC[6]HH)(CCCH)2	C(C[6]N[6,6]C[6])(NCC)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(CHHN){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N(CC[6]HH)(CCCH)2	112.9490	0.000	1	112.9490	0.000	1	112.9490	0.000	1	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(CCHH)2	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	N(CC[6]HH)(CCHH)2	109.1930	0.000	1	109.1930	0.000	1	113.8617	7.284	75	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(CCHH)2	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	N(CC[6]HH)(CCHH)2	113.7230	0.000	1	113.7230	0.000	1	113.8617	7.284	75	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(CH3)2	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6]HH)(CH3)2	113.3845	1.061	4	113.3845	1.125	4	113.8617	7.284	75	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	N(CC[6]HH)2(CC3)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6]HH)2(CC3)	111.5629	1.069	19	111.5629	1.144	19	113.8617	7.284	75	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	N(CC[6]HH)2(CCHH)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6]HH)2(CCHH)	111.7188	0.660	4	111.7188	0.435	4	113.8617	7.284	75	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	N(CC[6]HH)2(CH3)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6]HH)2(CH3)	116.8860	0.219	2	116.8860	0.048	2	113.8617	7.284	75	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	N(CC[6a]HH)(CC[6]HH)2	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]HH)2	113.8475	2.230	2	113.8475	4.971	2	113.8617	7.284	75	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]In)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(CCHH)2	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]In)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(CCHH)2	111.4220	0.000	1	111.4220	0.000	1	113.8617	7.284	75	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	N(CC[6]HH)2(CC3)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6]HH)2(CC3)	112.4289	0.767	8	112.4289	0.589	8	113.8617	7.284	75	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	N(CC[6]HH)2(CH3)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6]HH)2(CH3)	118.1620	0.782	8	118.1620	0.611	8	113.8617	7.284	75	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	N(CC[6a]HH)(CC[6]HH)(CC3)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CC[6]HH)(CC3)	113.1440	0.000	1	113.1440	0.000	1	113.8617	7.284	75	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	N(CC[6]HH)2(CC3)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6]HH)2(CC3)	112.0568	1.061	6	112.0568	1.126	6	113.8617	7.284	75	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	N(CC[6]HH)2(CH3)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6]HH)2(CH3)	117.0620	0.651	13	117.0620	0.424	13	113.8617	7.284	75	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(CCHH)2	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6]HH)(CCHH)2	112.8780	0.000	1	112.8780	0.000	1	113.8617	7.284	75	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(CCHH)2	C(C[6]C[6]N[6])(NCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	N(CC[6]HH)(CCHH)2	114.7045	0.905	4	114.7045	0.818	4	113.8617	7.284	75	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:P-4:C-4:	C(C[6]C[6]N[6])(NCP)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(PCoNN)(CCHH)	C(C[6]C[6]N[6])(NCP)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(PCoNN)(CCHH)	114.4540	0.766	3	114.4540	0.586	3	113.8218	1.732	5	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:P-4:C-4:	C(C[6]C[6]N[6])(NCP)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(PNiNN)(CCHH)	C(C[6]C[6]N[6])(NCP)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(PNiNN)(CCHH)	112.8735	1.661	2	112.8735	2.759	2	113.8218	1.732	5	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	S-4:C-4:C-4:	C(C[6]C[6]N[6])(NCS)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	N(SC[6a]OO)(CC[6]HH)2	C(C[6]C[6]N[6])(NCS)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6]HH)2	112.7555	0.532	2	112.7555	0.284	2	112.7555	0.284	2	113.3505	5.281	124	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	3:4:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	S-4:C-4:C-4:	C(C[6]C[5,6]C[6])(NCS)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHN)	N(SC[6a]OO)(CC[6]HH)(CCHH)	C(C[6]C[5,6]C[6])(NCS)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHN){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N(SC[6a]OO)(CC[6]HH)(CCHH)	110.1210	0.000	1	110.1210	0.000	1	110.1210	0.000	1	110.1210	0.000	1	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	4:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHN)	N(CC[6]HH)(CH3)2	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6]HH)(CH3)2	113.2750	0.000	1	113.2750	0.000	1	113.2750	0.000	1	111.5255	6.122	2	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:1:1:	4:3:4:	4:4:4:	C[6]-3:N-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	S-4:C-4:C-4:	C(C[6]C[6]2)(NCS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	N(SC[6a]OO)(CC[6]HH)(CCHH)	C(C[6]C[6]2)(NCS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,2|H<1>}	N(SC[6a]OO)(CC[6]HH)(CCHH)	109.7760	0.000	1	109.7760	0.000	1	109.7760	0.000	1	111.5255	6.122	2	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:2:1:	3:3:4:	3:4:1:	C[6]-3:N-3:O-2:H-1:	N[6]-3:C[6]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6]C[6]N[6])(NC[6a]H)(OMo)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHNO)	N(C[6a]C[6,6a]C[6a])(CC[6]HO)(H)	C(C[6]C[6]N[6])(NC[6a]H)(OMo)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[6]HO)(H)	106.2790	0.000	1	106.2790	0.000	1	106.2790	0.000	1	106.2790	0.000	1	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6]-3:N-3:N-3:H-1:	N[6]-3:C[6]-3:C-4:	C-4:N-3:H-1:	C(C[6]C[6]N[6])(NHN)2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNN)	N(CC[6]HN)(NNiC)(H)	C(C[6]C[6]N[6])(NHN)2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNN){1|C<3>,2|H<1>}	N(CC[6]HN)(NNiC)(H)	112.9590	0.899	2	112.9590	0.809	2	112.9590	0.809	2	112.2530	1.900	3	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(CC[6a]HN)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(CC[6a]HN){1|C<4>,2|H<1>}	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	112.2530	1.900	3	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6]-3:C-3:N-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:S-4:H-1:	C(C[6]C[6]2)(COO)(NHS)(H)	C[6](C[6]O[6]C)(C[6]O[6]O)(CCHN)	N(CC[6]CH)(SCOO)(H)	C(C[6]C[6]2)(COO)(NHS)(H)	C[6](C[6]O[6]C)(C[6]O[6]O)(CCHN){1|C<4>}	N(CC[6]CH)(SCOO)(H)	113.0020	0.000	1	113.0020	0.000	1	113.0020	0.000	1	112.3647	4.602	3	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6]-3:C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-4:	S-4:C-4:H-1:	C(C[6]C[6]N[6])2(NHS)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HN)	N(SC[6a]OO)(CC[6]2H)(H)	C(C[6]C[6]N[6])2(NHS)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6]2H)(H)	112.0460	2.932	2	112.0460	8.595	2	112.0460	8.595	2	112.3647	4.602	3	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:3:3:2:	3:3:4:	4:4:4:	C[6]-3:C[6a]-3:N-3:O-2:	N[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCC)(OSn)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CC[6a]NO)	N(CC[6a]C[6]O)(CH3)2	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCC)(OSn)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CC[6a]NO){1|C<3>,2|H<1>}	N(CC[6a]C[6]O)(CH3)2	106.8620	0.000	1	106.8620	0.000	1	106.8620	0.000	1	106.8620	0.000	1	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:4:3:1:	3:2:4:	4:4:1:	C[6]-3:C-4:N-3:H-1:	C[6]-3:C[6]-2:C-4:	C-4:C-4:H-1:	C(C[6]C[6]2)(CH3)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHN)	N(CC[6a]HH)(CC[6]CH)(H)	C(C[6]C[6]2)(CH3)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]CH)(H)	109.9790	0.000	2	109.9790	0.000	2	109.9790	0.000	2	113.3558	15.315	4	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:4:3:1:	3:2:4:	4:4:1:	C[6]-3:C-4:N-3:H-1:	C[6]-3:N[6]-2:C-4:	C-4:C-4:H-1:	C(C[6]C[6]N[6])(CCHH)(NCH)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CCHN)	N(CC[6a]CH)(CC[6]CH)(H)	C(C[6]C[6]N[6])(CCHH)(NCH)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CCHN){1|C<3>,1|H<1>}	N(CC[6a]CH)(CC[6]CH)(H)	116.3240	0.000	1	116.3240	0.000	1	116.3240	0.000	1	113.3558	15.315	4	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:4:3:1:	3:2:4:	4:4:1:	C[6]-3:P-4:N-3:H-1:	C[6]-3:C[6]-2:C-4:	C-4:C-4:H-1:	C(C[6]C[6]2)(PO3)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHNP)	N(CC[6a]HH)(CC[6]HP)(H)	C(C[6]C[6]2)(PO3)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHNP){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]HP)(H)	117.1410	0.000	1	117.1410	0.000	1	117.1410	0.000	1	113.3558	15.315	4	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:4:3:1:	3:3:4:	3:4:1:	C[6]-3:N-4:N-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6]C[6]N[6])(NC[6a]FeH)(NC[6a]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHNN)	N(C[6a]C[6a]2)(CC[6]HN)(H)	C(C[6]C[6]N[6])(NC[6a]FeH)(NC[6a]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]HN)(H)	111.2870	0.000	1	111.2870	0.000	1	111.2870	0.000	1	111.2870	0.000	1	113.1517	5.751	153	113.1517	5.751	153
490	762	956	0:SP3_SP2_SP3	C	C[6]	N	3:4:3:1:	4:3:4:	4:4:1:	C[6]-3:C-4:N-3:H-1:	C[6]-4:C[6]-3:C-4:	S-4:C-4:H-1:	C(C[6]C[6]2)(CH3)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)	N(SC[6a]OO)(CC[6]CH)(H)	C(C[6]C[6]2)(CH3)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN){1|C<4>,4|H<1>}	N(SC[6a]OO)(CC[6]CH)(H)	113.0620	0.000	1	113.0620	0.000	1	113.0620	0.000	1	113.0620	0.000	1	113.1517	5.751	153	113.1517	5.751	153
490	762	983	0:SP3_SP1_SP2	C	C[6]	C	3:2:1:1:	3:3:4:	4:2:	C[6]-3:C-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-2:	C(C[6]C[6]2)(CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C(CC[6]HH)(CH)	C(C[6]C[6]2)(CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	C(CC[6]HH)(CH)	112.7060	0.000	1	112.7060	0.000	1	112.7060	0.000	1	112.7060	0.000	1	110.4544	6.561	22	110.4544	6.561	22
490	762	983	0:SP3_SP1_SP2	C	C[6]	C	3:2:2:1:	3:2:4:	3:4:	C[6]-3:C-2:C-2:O-1:	C[6]-3:C[6]-2:C-4:	N[5]-3:C-4:	C(C[6]C[6]2)(CN[5])2(O)	C[6](C[6]C[6]F)(C[6]C[6])(CCCO)	C(N[5]C[5]N[5])(CC[6]CO)	C(C[6]C[6]2)(CN[5])2(O)	C[6](C[6]C[6]F)(C[6]C[6])(CCCO){1|C<3>}	C(N[5]C[5]N[5])(CC[6]CO)	112.4235	1.661	2	112.4235	2.759	2	112.4235	2.759	2	112.4235	2.759	2	110.4544	6.561	22	110.4544	6.561	22
490	762	983	0:SP3_SP1_SP2	C	C[6]	C	3:2:2:1:	3:3:4:	4:1:	C[6]-3:C-2:C-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:N-1:	C(C[6]C[6]2)(CN)2(H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)	C(CC[6]CH)(N)	C(C[6]C[6]2)(CN)2(H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCCH){2|C<2>,4|C<3>}	C(CC[6]CH)(N)	114.8195	4.373	2	114.8195	19.127	2	114.8195	19.127	2	114.8195	19.127	2	110.4544	6.561	22	110.4544	6.561	22
490	762	983	0:SP3_SP1_SP2	C	C[6]	C	3:3:2:1:	3:3:4:	4:2:	C[6]-3:C[6a]-3:C-2:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:C-2:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CC[6a]CH)	C(CC[6a]C[6]H)(CC[6a])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CC[6a]CH){1|C<4>,1|H<1>,4|C<3>}	C(CC[6a]C[6]H)(CC[6a])	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	110.4544	6.561	22	110.4544	6.561	22
490	762	983	0:SP3_SP1_SP2	C	C[6]	C	3:3:2:1:	3:4:4:	4:1:	C[6]-3:C-3:C-2:H-1:	C[6]-3:C[6]-4:C-4:	C-4:N-1:	C(C[6]C[6]2)(CN[5]O)(CN)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCCH)	C(CC[6]CH)(N)	C(C[6]C[6]2)(CN[5]O)(CN)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCCH){1|O<1>,2|C<3>,3|C<4>}	C(CC[6]CH)(N)	112.4300	0.000	1	112.4300	0.000	1	112.4300	0.000	1	112.4300	0.000	1	110.4544	6.561	22	110.4544	6.561	22
490	762	983	0:SP3_SP1_SP2	C	C[6]	C	3:3:2:1:	4:3:4:	4:1:	C[6]-3:C-3:C-2:H-1:	C[6]-4:C[6]-3:C-4:	C-4:N-1:	C(C[6]C[6]2)(CNO)(CN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)	C(CC[6]CH)(N)	C(C[6]C[6]2)(CNO)(CN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH){1|C<4>,4|H<1>}	C(CC[6]CH)(N)	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	110.4544	6.561	22	110.4544	6.561	22
490	762	983	0:SP3_SP1_SP2	C	C[6]	C	3:3:2:2:	3:3:4:	4:1:	C[6a]-3:C[6]-3:C-2:C-2:	C[6]-3:C[6]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(CN)2	C[6](C[6]C[6]O)2(CC[6a]CC)	C(CC[6a]C[6]C)(N)	C(C[6a]C[6a]2)(C[6]C[6]2)(CN)2	C[6](C[6]C[6]O)2(CC[6a]CC){1|C<3>,2|N<3>}	C(CC[6a]C[6]C)(N)	110.7525	3.977	2	110.7525	15.820	2	110.7525	15.820	2	110.7525	15.820	2	110.4544	6.561	22	110.4544	6.561	22
490	762	983	0:SP3_SP1_SP2	C	C[6]	C	3:3:3:2:	3:3:4:	4:1:	C[6]-3:C[6a]-3:N-3:C-2:	C[6]-3:N[6]-3:C-4:	C-4:N-1:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCN)(CN)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CN)	C(CC[6a]C[6]N)(N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCN)(CN)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CN){1|C<3>,2|H<1>}	C(CC[6a]C[6]N)(N)	110.6270	0.000	1	110.6270	0.000	1	110.6270	0.000	1	109.4885	2.592	2	110.4544	6.561	22	110.4544	6.561	22
490	762	983	0:SP3_SP1_SP2	C	C[6]	C	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)2(C[6]C[6]2)(CN)	C[6](C[6]C[6]H)2(CC[6a]2C)	C(CC[6a]2C[6])(N)	C(C[6a]C[6a]2)2(C[6]C[6]2)(CN)	C[6](C[6]C[6]H)2(CC[6a]2C){1|N<3>,2|H<1>}	C(CC[6a]2C[6])(N)	108.3500	0.000	1	108.3500	0.000	1	108.3500	0.000	1	109.4885	2.592	2	110.4544	6.561	22	110.4544	6.561	22
490	762	983	0:SP3_SP1_SP2	C	C[6]	C	3:3:4:2:	3:3:4:	4:1:	C[6]-3:C[6]-3:C-4:C-2:	N[6]-3:C[6]-3:C-4:	C-4:N-1:	C(C[6]C[6]N[6])2(CCHH)(CN)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]CC)	C(CC[6]2C)(N)	C(C[6]C[6]N[6])2(CCHH)(CN)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]CC){1|H<1>,2|C<3>}	C(CC[6]2C)(N)	108.0620	0.455	4	108.0620	0.207	4	108.0620	0.207	4	108.6280	1.757	5	110.4544	6.561	22	110.4544	6.561	22
490	762	983	0:SP3_SP1_SP2	C	C[6]	C	3:3:4:2:	3:3:4:	4:1:	C[6]-3:C[6a]-3:C-4:C-2:	C[6]-3:N[6]-3:C-4:	C-4:N-1:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(CN)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CC)	C(CC[6a]C[6]C)(N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(CN)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CC){1|C<3>,2|H<1>}	C(CC[6a]C[6]C)(N)	110.8920	0.000	1	110.8920	0.000	1	110.8920	0.000	1	108.6280	1.757	5	110.4544	6.561	22	110.4544	6.561	22
490	762	983	0:SP3_SP1_SP2	C	C[6]	C	3:4:2:2:	3:3:4:	4:1:	C[6]-3:C-4:C-2:C-2:	C[6,6a]-3:C[6]-3:C-4:	C-4:N-1:	C(C[6]C[6,6a]C[6])(CC[6a]HH)(CN)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC3)	C(CC[6]CC)(N)	C(C[6]C[6,6a]C[6])(CC[6a]HH)(CN)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC3){1|C<4>,2|C<3>,3|H<1>}	C(CC[6]CC)(N)	109.2007	1.023	4	109.2007	1.047	4	109.2007	1.047	4	109.2007	1.047	4	110.4544	6.561	22	110.4544	6.561	22
490	762	983	0:SP3_SP1_SP2	C	C[6]	C	4:3:4:2:	3:3:4:	4:2:	C[3]-4:C[6]-3:P-4:C-2:	C[6]-3:C[6]-3:C-4:	C-4:C-2:	C(C[3]C[3]2H)(C[6]C[6]2)(PC[6a]2O)(CC)	C[6](C[6]C[6]H)2(CC[3]CP)	C(CC[3]C[6]P)(CH)	C(C[3]C[3]2H)(C[6]C[6]2)(PC[6a]2O)(CC)	C[6](C[6]C[6]H)2(CC[3]CP){1|C<2>,2|H<1>}	C(CC[3]C[6]P)(CH)	112.0360	0.000	1	112.0360	0.000	1	112.0360	0.000	1	112.0360	0.000	1	110.4544	6.561	22	110.4544	6.561	22
490	762	990	0:SP3_SP2_SP2	C	C[6]	As	3:4:2:1:	3:2:4:	4:3:	C[6]-3:C-4:As-2:H-1:	N[6]-3:N[6]-2:C-4:	C-4:N-3:	C(C[6]N[6]2)(CCHH)(AsN)(H)	C[6](N[6]C[6]C)(N[6]C[6])(CAsCH)	As(CC[6]CH)(NC[6a]H)	C(C[6]N[6]2)(CCHH)(AsN)(H)	C[6](N[6]C[6]C)(N[6]C[6])(CAsCH){1|C<4>,4|H<1>}	As(CC[6]CH)(NC[6a]H)	90.7424	0.000	1	90.7424	0.000	1	90.7424	0.000	1	90.7424	0.000	1	90.7424	0.000	1	90.7424	0.000	1
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:1:1:	3:3:4:	3:3:3:4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]2)(PC[6a]3)(H)2	C[6](C[6]C[6]H)2(CHHP)	P(C[6a]C[6a]2)3(CC[6]HH)	C(C[6]C[6]2)(PC[6a]3)(H)2	C[6](C[6]C[6]H)2(CHHP){1|N<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6]HH)	109.8620	0.000	1	109.8620	0.000	1	109.8620	0.000	1	108.6990	2.705	2	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:1:1:	3:3:4:	3:3:3:4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:N-3:C-4:	C(C[6]C[6]N[6])(PC[6a]2N)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP)	P(C[6a]C[6a]2)2(NC[6a]Ni)(CC[6]HH)	C(C[6]C[6]N[6])(PC[6a]2N)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Ni)(CC[6]HH)	107.5360	0.000	1	107.5360	0.000	1	107.5360	0.000	1	108.6990	2.705	2	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6]-3:P-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP)	P(C[6a]C[6a]2)2(CC[6]HH)(O)	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6]HH)(O)	110.1940	0.000	1	110.1940	0.000	1	112.1693	24.210	4	112.8868	15.762	6	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6]-3:P-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP)	P(C[6a]C[6a]2)2(CC[6]HH)(O)	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(CC[6]HH)(O)	109.4755	0.084	2	112.8277	33.715	3	112.1693	24.210	4	112.8868	15.762	6	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6]-3:P-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP)	P(C[6a]C[6a]2)2(CC[6]HH)(O)	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6]HH)(O)	119.5320	0.000	1	112.8277	33.715	3	112.1693	24.210	4	112.8868	15.762	6	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHP)	P(C[6a]C[6a]2)2(CC[6]HH)(O)	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHP){2|O<1>,4|C<3>}	P(C[6a]C[6a]2)2(CC[6]HH)(O)	114.3220	0.033	2	114.3220	0.001	2	114.3220	0.001	2	112.8868	15.762	6	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:1:1:	3:3:4:	3:3:4:2:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP)	P(C[6a]C[6a]2)2(CC[6]HH)(ONi)	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6]HH)(ONi)	112.7120	0.000	1	112.7120	0.000	1	112.7120	0.000	1	112.7120	0.000	1	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:1:1:	3:3:4:	4:2:1:1:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHP)	P(CC[6]HH)(OH)(O)2	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHP){1|C<3>,2|H<1>}	P(CC[6]HH)(OH)(O)2	114.4130	0.000	1	114.4130	0.000	1	114.4130	0.000	1	114.8060	0.309	2	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:1:1:	3:3:4:	4:2:1:1:	C[6]-3:P-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6]C[6]N[6])(PO3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP)	P(CC[6]HH)(OC)(O)2	C(C[6]C[6]N[6])(PO3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	P(CC[6]HH)(OC)(O)2	115.1990	0.000	1	115.1990	0.000	1	115.1990	0.000	1	114.8060	0.309	2	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]H)2(CHHP)	P(CC[6]HH)(OC)2(O)	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]H)2(CHHP){1|C<3>,1|H<1>,1|N<3>}	P(CC[6]HH)(OC)2(O)	114.0538	1.306	4	114.0538	1.705	4	113.6548	1.413	6	114.0706	2.387	7	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]H)2(CHHP)	P(CC[6]HH)(OH)2(O)	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]H)2(CHHP){1|H<1>,1|N<3>,1|P<4>}	P(CC[6]HH)(OH)2(O)	112.8570	0.201	2	112.8570	0.040	2	113.6548	1.413	6	114.0706	2.387	7	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6]-3:P-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6]C[6]N[6])(PO3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP)	P(CC[6]HH)(OH)2(O)	C(C[6]C[6]N[6])(PO3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP){1|C<3>,2|H<1>}	P(CC[6]HH)(OH)2(O)	116.5650	0.000	1	116.5650	0.000	1	116.5650	0.000	1	114.0706	2.387	7	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:1:1:	4:3:4:	3:3:4:1:	C[6]-3:P-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6]C[6]2)(PC[6a]2O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP)	P(C[6a]C[6a]2)2(CC[6]HH)(O)	C(C[6]C[6]2)(PC[6a]2O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)2(CC[6]HH)(O)	112.9620	0.000	1	112.9620	0.000	1	112.9620	0.000	1	112.9620	0.000	1	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:2:1:	3:3:4:	4:2:1:1:	C[6]-3:P-4:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6]C[6]2)(PO3)(OH)(H)	C[6](C[6]C[6]H)2(CHOP)	P(CC[6]HO)(OH)(O)2	C(C[6]C[6]2)(PO3)(OH)(H)	C[6](C[6]C[6]H)2(CHOP){1|N<3>,2|H<1>}	P(CC[6]HO)(OH)(O)2	109.8380	0.000	1	109.8380	0.000	1	109.8380	0.000	1	109.8380	0.000	1	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:3:1:	3:2:4:	4:2:2:1:	C[6]-3:P-4:N-3:H-1:	C[6]-3:C[6]-2:C-4:	C-4:O-2:O-2:O-1:	C(C[6]C[6]2)(PO3)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHNP)	P(CC[6]HN)(OC)2(O)	C(C[6]C[6]2)(PO3)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHNP){1|C<3>,2|H<1>}	P(CC[6]HN)(OC)2(O)	111.9550	0.000	1	111.9550	0.000	1	111.9550	0.000	1	111.9550	0.000	1	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:3:1:	3:3:4:	3:3:4:1:	C[6]-3:P-4:C-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6]C[6]N[6])(PC[6a]2O)(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHP)	P(C[6a]C[6a]2)2(CC[6]CH)(O)	C(C[6]C[6]N[6])(PC[6a]2O)(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHP){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(CC[6]CH)(O)	110.7150	0.191	2	110.7150	0.036	2	110.7150	0.036	2	110.7150	0.036	2	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:4:1:	3:2:4:	4:2:1:1:	C[6]-3:C-4:P-4:H-1:	C[6]-3:C[6]-2:C-4:	C-4:O-2:O-1:O-1:	C(C[6]C[6]2)(CCHH)(PO3)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHP)	P(CC[6]CH)(OH)(O)2	C(C[6]C[6]2)(CCHH)(PO3)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHP){1|C<3>,2|H<1>}	P(CC[6]CH)(OH)(O)2	110.6370	0.000	1	110.6370	0.000	1	110.6370	0.000	1	110.6370	0.000	1	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:4:1:	3:3:4:	3:3:4:1:	C[6]-3:P-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[6]C[6]2)(PC[6a]2S)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHP)	P(C[6a]C[6a]2)2(CC[6]CH)(S)	C(C[6]C[6]2)(PC[6a]2S)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHP){1|C<3>,1|H<1>,1|O<1>}	P(C[6a]C[6a]2)2(CC[6]CH)(S)	108.2860	0.000	1	108.2860	0.000	1	108.2860	0.000	1	108.2860	0.000	1	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:4:1:	3:3:4:	4:2:2:1:	C[6]-3:N-4:P-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6]C[6]N[6])(NC[6a]PtH)(PO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP)	P(CC[6]HN)(OC)2(O)	C(C[6]C[6]N[6])(NC[6a]PtH)(PO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP){1|C<3>,2|H<1>}	P(CC[6]HN)(OC)2(O)	112.3270	0.000	1	112.5267	2.000	3	111.8213	2.545	6	111.8213	2.545	6	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:4:1:	3:3:4:	4:2:2:1:	C[6]-3:N-4:P-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6]C[6]N[6])(NC[6a]PtH)(PO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP)	P(CC[6]HN)(OC)2(O)	C(C[6]C[6]N[6])(NC[6a]PtH)(PO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP){1|Cl<1>,1|C<3>,1|H<1>}	P(CC[6]HN)(OC)2(O)	112.6265	1.985	2	112.5267	2.000	3	111.8213	2.545	6	111.8213	2.545	6	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:4:1:	3:3:4:	4:2:2:1:	C[6]-3:N-4:P-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6]C[6]N[6])(NPtCH)(PO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP)	P(CC[6]HN)(OC)2(O)	C(C[6]C[6]N[6])(NPtCH)(PO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP){1|C<3>,2|H<1>}	P(CC[6]HN)(OC)2(O)	112.0770	0.444	2	111.1160	2.869	3	111.8213	2.545	6	111.8213	2.545	6	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	3:4:4:1:	3:3:4:	4:2:2:1:	C[6]-3:N-4:P-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6]C[6]N[6])(NPtCH)(PO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP)	P(CC[6]HN)(OC)2(O)	C(C[6]C[6]N[6])(NPtCH)(PO3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP){1|Cl<1>,1|C<3>,1|H<1>}	P(CC[6]HN)(OC)2(O)	109.1940	0.000	1	111.1160	2.869	3	111.8213	2.545	6	111.8213	2.545	6	112.1894	7.020	32	112.1894	7.020	32
490	762	992	0:SP3_SP2_SP3	C	C[6]	P	4:3:4:2:	3:3:4:	3:3:4:1:	C[3]-4:C[6]-3:P-4:C-2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[3]C[3]2H)(C[6]C[6]2)(PC[6a]2O)(CC)	C[6](C[6]C[6]H)2(CC[3]CP)	P(C[6a]C[6a]2)2(CC[3]C[6]C)(O)	C(C[3]C[3]2H)(C[6]C[6]2)(PC[6a]2O)(CC)	C[6](C[6]C[6]H)2(CC[3]CP){1|C<2>,2|H<1>}	P(C[6a]C[6a]2)2(CC[3]C[6]C)(O)	108.4870	0.000	1	108.4870	0.000	1	108.4870	0.000	1	108.4870	0.000	1	112.1894	7.020	32	112.1894	7.020	32
490	769	951	0:SP3_SP-NON_SP2	C	C[4a]	H	3:1:1:1:	3:3:4:	4:	C[4a]-3:H-1:H-1:H-1:	C[4a]-3:C[4a]-3:C-4:	C-4:	C(C[4a]C[4a]2)(H)3	C[4a](C[4a]C[4a]O)2(CH3)	H(CC[4a]HH)	C(C[4a]C[4a]2)(H)3	C[4a](C[4a]C[4a]O)2(CH3){1|O<2>}	H(CC[4a]HH)	109.6041	0.268	12	109.6041	0.072	12	109.6041	0.072	12	109.6041	0.072	12	109.6041	0.072	12	109.6041	0.072	12
490	770	880	0:SP3_SP2_SP3	C	B	Si	3:3:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:B-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(BC[6a]2)(SiC3)(H)	B(C[6a]C[6a]2)2(CC[6a]SiH)	Si(CC[6a]BH)(CH3)3	C(C[6a]C[6a]2)(BC[6a]2)(SiC3)(H)	B(C[6a]C[6a]2)2(CC[6a]SiH)	Si(CC[6a]BH)(CH3)3	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	112.8959	10.776	30	112.8959	10.776	30
490	770	880	0:SP3_SP2_SP3	C	B	Si	3:3:4:1:	3:4:4:	4:4:4:4:	C[6a]-3:B-3:Si-4:H-1:	C[6a]-3:C-4:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	B(C[6a]C[6a]2)(CC[6a]SiH)2	Si(CC[6a]BH)(CH3)3	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	B(C[6a]C[6a]2)(CC[6a]SiH)2	Si(CC[6a]BH)(CH3)3	114.8597	4.891	6	114.8597	23.917	6	114.8597	23.917	6	114.8597	23.917	6	112.8959	10.776	30	112.8959	10.776	30
490	770	880	0:SP3_SP2_SP3	C	B	Si	3:4:4:4:	4:3:4:	4:4:4:4:	B-3:Si-4:Si-4:Si-4:	C[5]-4:N-3:C-4:	C-4:C-4:C-4:C-4:	C(BC[5]N)(SiC3)3	B(C[5]C[5]2Fe)(NC[5]C)(CSi3)	Si(CSi2B)(CH3)3	C(BC[5]N)(SiC3)3	B(C[5]C[5]2Fe)(NC[5]C)(CSi3)	Si(CSi2B)(CH3)3	108.1767	1.679	3	108.1767	2.818	3	108.1767	2.818	3	108.1767	2.818	3	112.8959	10.776	30	112.8959	10.776	30
490	770	880	0:SP3_SP2_SP3	C	B	Si	4:4:3:1:	4:4:2:	4:4:4:4:	Si-4:Si-4:B-3:H-1:	C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C(SiC3)2(BCO)(H)	B(CSi2H)2(OPb)	Si(CSiBH)(CH3)3	C(SiC3)2(BCO)(H)	B(CSi2H)2(OPb)	Si(CSiBH)(CH3)3	113.1848	2.281	12	113.1848	5.202	12	113.1813	4.453	20	113.1813	4.453	20	112.8959	10.776	30	112.8959	10.776	30
490	770	880	0:SP3_SP2_SP3	C	B	Si	4:4:3:1:	4:4:2:	4:4:4:4:	Si-4:Si-4:B-3:H-1:	C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C(SiC3)2(BCO)(H)	B(CSi2H)2(OSn)	Si(CSiBH)(CH3)3	C(SiC3)2(BCO)(H)	B(CSi2H)2(OSn)	Si(CSiBH)(CH3)3	113.1760	1.978	8	113.1760	3.913	8	113.1813	4.453	20	113.1813	4.453	20	112.8959	10.776	30	112.8959	10.776	30
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:1:1:1:	3:3:4:	4:	B-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]2)(H)3	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)	H(CBHH)	C(BC[6a]2)(H)3	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)	H(CBHH)	109.4815	0.028	2	109.4815	0.001	2	109.4783	0.001	8	109.4783	0.001	8	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:1:1:1:	3:3:4:	4:	B-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]2)(H)3	B(C[6a]C[6a]2)2(CH3)	H(CBHH)	C(BC[6a]2)(H)3	B(C[6a]C[6a]2)2(CH3)	H(CBHH)	109.4772	0.030	6	109.4772	0.001	6	109.4783	0.001	8	109.4783	0.001	8	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:1:1:1:	3:4:4:	4:	B-3:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]C)(H)3	B(C[6a]C[6,6a]C[6a])(CH3)2	H(CBHH)	C(BC[6a]C)(H)3	B(C[6a]C[6,6a]C[6a])(CH3)2	H(CBHH)	109.4762	0.030	5	109.4762	0.001	5	109.4762	0.001	5	109.4762	0.001	5	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:1:1:1:	4:4:2:	4:	B-3:H-1:H-1:H-1:	C-4:N-4:O-2:	C-4:	C(BNO)(H)3	B(CH3)(NC3)(OB)	H(CBHH)	C(BNO)(H)3	B(CH3)(NC3)(OB)	H(CBHH)	109.4933	0.027	3	109.4933	0.001	3	109.4933	0.001	3	109.4933	0.001	3	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:1:1:1:	4:4:4:	4:	B-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(BC[5]2)(H)3	B(C[5]C[5]2C)2(CH3)	H(CBHH)	C(BC[5]2)(H)3	B(C[5]C[5]2C)2(CH3)	H(CBHH)	109.4688	0.021	5	109.4688	0.000	5	109.4688	0.000	5	109.4688	0.000	5	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:B-3:H-1:H-1:	N[5]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(BC[6a]N[5])(H)2	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]BH)	C(C[6a]C[6a]2)(BC[6a]N[5])(H)2	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]BH)	108.7493	2.828	4	108.7493	7.999	4	108.7493	7.999	4	108.7493	7.999	4	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:3:1:1:	3:4:1:	4:	N-3:B-3:H-1:H-1:	N-3:C-4:H-1:	C-4:	C(NC[6a]C)(BHN)(H)2	B(NC[6a]C)(CHHN)(H)	H(CBHN)	C(NC[6a]C)(BHN)(H)2	B(NC[6a]C)(CHHN)(H)	H(CBHN)	106.5153	0.024	3	106.5153	0.001	3	106.5153	0.001	3	106.5153	0.001	3	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:3:1:1:	3:4:3:	4:	C[6a]-3:B-3:H-1:H-1:	C[6a]-3:C-4:N-3:	C-4:	C(C[6a]C[6a]2)(BC[6a]N)(H)2	B(C[6a]C[6a]2)(CC[6a]HH)(NC[6]C)	H(CC[6a]BH)	C(C[6a]C[6a]2)(BC[6a]N)(H)2	B(C[6a]C[6a]2)(CC[6a]HH)(NC[6]C)	H(CC[6a]BH)	107.1630	0.017	2	107.1630	0.000	2	107.1630	0.000	2	107.1630	0.000	2	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:3:1:1:	4:3:4:	4:	N-3:B-3:H-1:H-1:	C[6]-4:N-3:C-4:	C-4:	C(NC[6a]C)(BC[6]N)(H)2	B(C[6]N[6]2H)(NC[6a]C)(CHHN)	H(CBHN)	C(NC[6a]C)(BC[6]N)(H)2	B(C[6]N[6]2H)(NC[6a]C)(CHHN)	H(CBHN)	106.1020	0.006	2	106.1020	0.000	2	106.1020	0.000	2	106.1020	0.000	2	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(BC[6a]2)(H)	B(C[6a]C[6a]2)2(CC[6a]2H)	H(CC[6a]2B)	C(C[6a]C[6a]2)2(BC[6a]2)(H)	B(C[6a]C[6a]2)2(CC[6a]2H)	H(CC[6a]2B)	101.8710	0.000	1	101.8710	0.000	1	101.8710	0.000	1	101.8710	0.000	1	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:B-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(BC[6a]2)(SiC3)(H)	B(C[6a]C[6a]2)2(CC[6a]SiH)	H(CC[6a]SiB)	C(C[6a]C[6a]2)(BC[6a]2)(SiC3)(H)	B(C[6a]C[6a]2)2(CC[6a]SiH)	H(CC[6a]SiB)	107.8000	0.000	1	107.8000	0.000	1	107.8000	0.000	1	107.8000	0.000	1	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:3:4:1:	3:4:4:	4:	C[6a]-3:B-3:Si-4:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	B(C[6a]C[6a]2)(CC[6a]SiH)2	H(CC[6a]SiB)	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	B(C[6a]C[6a]2)(CC[6a]SiH)2	H(CC[6a]SiB)	104.1523	1.317	6	104.1523	1.735	6	104.1523	1.735	6	104.1523	1.735	6	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:4:1:1:	3:3:4:	4:	B-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]2)(CBHH)(H)2	B(C[6a]C[6a]2)2(CCHH)	H(CBCH)	C(BC[6a]2)(CBHH)(H)2	B(C[6a]C[6a]2)2(CCHH)	H(CBCH)	110.7905	0.216	4	110.7905	0.047	4	109.1871	2.177	16	108.9872	2.260	18	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:4:1:1:	3:3:4:	4:	B-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]2)(CBHP)(H)2	B(C[6a]C[6a]2)2(CCHH)	H(CBCH)	C(BC[6a]2)(CBHP)(H)2	B(C[6a]C[6a]2)2(CCHH)	H(CBCH)	111.1120	0.062	2	111.1120	0.004	2	109.1871	2.177	16	108.9872	2.260	18	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:4:1:1:	3:3:4:	4:	B-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]2)(CCHH)(H)2	B(C[6a]C[6a]2)2(CCHH)	H(CBCH)	C(BC[6a]2)(CCHH)(H)2	B(C[6a]C[6a]2)2(CCHH)	H(CBCH)	108.1608	0.690	10	108.1608	0.476	10	109.1871	2.177	16	108.9872	2.260	18	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:4:1:1:	3:3:4:	4:	B-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]2)(PAuCC)(H)2	B(C[6a]C[6a]2)2(CHHP)	H(CBHP)	C(BC[6a]2)(PAuCC)(H)2	B(C[6a]C[6a]2)2(CHHP)	H(CBHP)	107.3875	0.021	2	107.3875	0.000	2	107.3875	0.000	2	108.9872	2.260	18	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:4:1:1:	3:4:4:	4:	B-3:P-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]C)(PCoCC)(H)2	B(C[6a]C[6a]2)(CHHP)2	H(CBHP)	C(BC[6a]C)(PCoCC)(H)2	B(C[6a]C[6a]2)(CHHP)2	H(CBHP)	107.4570	0.981	2	107.4570	0.963	2	107.4570	0.963	2	107.4570	0.963	2	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:4:3:1:	3:4:4:	4:	N-3:C-4:B-3:H-1:	N-3:C-4:C-4:	C-4:	C(NC[5]C)(CCCH)(BCN)(H)	B(NC[5]C)(CCCH)(CCHN)	H(CBCN)	C(NC[5]C)(CCCH)(BCN)(H)	B(NC[5]C)(CCCH)(CCHN)	H(CBCN)	102.1180	0.041	2	102.1180	0.002	2	102.1180	0.002	2	102.1180	0.002	2	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:4:3:1:	4:4:2:	4:	N-3:C-4:B-3:H-1:	C-4:C-4:O-2:	C-4:	C(NC[6a]H)(CCCH)(BCO)(H)	B(CCCH)(CCHN)(OH)	H(CBCN)	C(NC[6a]H)(CCCH)(BCO)(H)	B(CCCH)(CCHN)(OH)	H(CBCN)	106.6680	0.000	1	106.6680	0.000	1	106.6680	0.000	1	106.6680	0.000	1	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	3:4:4:1:	4:4:4:	4:	B-3:C-4:C-4:H-1:	C[5]-4:C-4:C-4:	C-4:	C(BC[5]C)(CH3)2(H)	B(C[5]C[5]2Fe)(CCCH)2	H(CBCC)	C(BC[5]C)(CH3)2(H)	B(C[5]C[5]2Fe)(CCCH)2	H(CBCC)	106.7105	0.134	2	106.7105	0.018	2	106.7105	0.018	2	106.7105	0.018	2	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	4:3:1:1:	3:3:4:	4:	C-4:B-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[5]HH)(BC[6a]2)(H)2	B(C[6a]C[6a]2)2(CCHH)	H(CBCH)	C(CC[5]HH)(BC[6a]2)(H)2	B(C[6a]C[6a]2)2(CCHH)	H(CBCH)	107.9310	0.033	2	107.9310	0.001	2	107.9310	0.001	2	107.2400	0.638	4	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:B-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(BC[6a]2)(H)2	B(C[6a]C[6a]2)2(CC[6,6]HH)	H(CC[6,6]BH)	C(C[6,6]C[6,6]C[6]2)(BC[6a]2)(H)2	B(C[6a]C[6a]2)2(CC[6,6]HH)	H(CC[6,6]BH)	106.5490	0.047	2	106.5490	0.002	2	106.5490	0.002	2	107.2400	0.638	4	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	4:3:1:1:	3:4:4:	4:	C-4:B-3:H-1:H-1:	N-3:C-4:C-4:	C-4:	C(CBHH)(BCN)(H)2	B(NC[6a]2)(CCHH)2	H(CBCH)	C(CBHH)(BCN)(H)2	B(NC[6a]2)(CCHH)2	H(CBCH)	110.1208	0.624	4	110.1208	0.389	4	110.1208	0.389	4	110.1208	0.389	4	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	4:3:1:1:	4:2:2:	4:	C[5]-4:B-3:H-1:H-1:	C-4:O-2:O-2:	C-4:	C(C[5]C[5]N[5]H)(BOO)(H)2	B(CC[5]HH)(OH)2	H(CC[5]BH)	C(C[5]C[5]N[5]H)(BOO)(H)2	B(CC[5]HH)(OH)2	H(CC[5]BH)	110.4765	1.890	2	110.4765	3.572	2	110.4765	3.572	2	110.4765	3.572	2	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	4:3:1:1:	4:4:4:	4:	C-4:B-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CH3)(BCC)(H)2	B(CCCH)(CCHH)2	H(CBCH)	C(CH3)(BCC)(H)2	B(CCCH)(CCHH)2	H(CBCH)	107.6198	0.202	4	107.6198	0.041	4	107.9729	0.426	9	107.9729	0.426	9	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	4:3:1:1:	4:4:4:	4:	C-4:B-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CH3)(BCC)(H)2	B(CCHH)3	H(CBCH)	C(CH3)(BCC)(H)2	B(CCHH)3	H(CBCH)	108.2554	0.773	5	108.2554	0.597	5	107.9729	0.426	9	107.9729	0.426	9	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	4:3:3:1:	4:4:2:	4:	C[6]-4:N-3:B-3:H-1:	C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6]2H)(NC[6a]Pt)(BC[6]O)(H)	B(C[6]C[6]2H)(CC[6]HN)(OC)	H(CC[6]BN)	C(C[6]C[6]2H)(NC[6a]Pt)(BC[6]O)(H)	B(C[6]C[6]2H)(CC[6]HN)(OC)	H(CC[6]BN)	108.1050	0.000	1	108.1050	0.000	1	108.1050	0.000	1	108.1050	0.000	1	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	4:4:3:1:	3:4:4:	4:	C-4:C-4:B-3:H-1:	N-3:C-4:C-4:	C-4:	C(CCHH)2(BCN)(H)	B(NC[5]C)(CCCH)(CCHN)	H(CBCC)	C(CCHH)2(BCN)(H)	B(NC[5]C)(CCCH)(CCHN)	H(CBCC)	105.2785	0.066	2	105.2785	0.004	2	105.2785	0.004	2	105.2785	0.004	2	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	4:4:3:1:	4:4:2:	4:	C-4:C-4:B-3:H-1:	C-4:C-4:O-2:	C-4:	C(CCHH)2(BCO)(H)	B(CCCH)(CCHN)(OH)	H(CBCC)	C(CCHH)2(BCO)(H)	B(CCCH)(CCHN)(OH)	H(CBCC)	107.3760	0.000	1	107.3760	0.000	1	107.3760	0.000	1	104.7575	1.350	11	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	4:4:3:1:	4:4:2:	4:	Si-4:Si-4:B-3:H-1:	C-4:C-4:O-2:	C-4:	C(SiC3)2(BCO)(H)	B(CSi2H)2(OPb)	H(CSi2B)	C(SiC3)2(BCO)(H)	B(CSi2H)2(OPb)	H(CSi2B)	104.4568	1.049	6	104.4568	1.101	6	104.4956	0.662	10	104.7575	1.350	11	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	4:4:3:1:	4:4:2:	4:	Si-4:Si-4:B-3:H-1:	C-4:C-4:O-2:	C-4:	C(SiC3)2(BCO)(H)	B(CSi2H)2(OSn)	H(CSi2B)	C(SiC3)2(BCO)(H)	B(CSi2H)2(OSn)	H(CSi2B)	104.5538	0.377	4	104.5538	0.142	4	104.4956	0.662	10	104.7575	1.350	11	107.6403	5.391	99	107.6403	5.391	99
490	770	951	0:SP3_SP-NON_SP2	C	B	H	4:4:3:1:	4:4:4:	4:	C-4:C-4:B-3:H-1:	C-4:C-4:C-4:	C-4:	C(CC[6a]CH)(CCCH)(BCC)(H)	B(CCCH)(CCHH)2	H(CBCC)	C(CC[6a]CH)(CCCH)(BCC)(H)	B(CCCH)(CCHH)2	H(CBCC)	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	107.6403	5.391	99	107.6403	5.391	99
490	770	956	0:SP3_SP2_SP2	C	B	N	3:3:1:1:	3:4:1:	3:4:3:	N-3:B-3:H-1:H-1:	N-3:C-4:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(BHN)(H)2	B(NC[6a]C)(CHHN)(H)	N(C[6a]C[6a]2)(CBHH)(CCO)	C(NC[6a]C)(BHN)(H)2	B(NC[6a]C)(CHHN)(H)	N(C[6a]C[6a]2)(CBHH)(CCO)	123.2075	0.101	2	123.2075	0.010	2	123.2075	0.010	2	123.2075	0.010	2	124.3320	1.817	4	124.3320	1.817	4
490	770	956	0:SP3_SP2_SP2	C	B	N	3:3:1:1:	4:3:4:	3:4:3:	N-3:B-3:H-1:H-1:	C[6]-4:N-3:C-4:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(BC[6]N)(H)2	B(C[6]N[6]2H)(NC[6a]C)(CHHN)	N(C[6a]C[6a]2)(CBHH)(CCO)	C(NC[6a]C)(BC[6]N)(H)2	B(C[6]N[6]2H)(NC[6a]C)(CHHN)	N(C[6a]C[6a]2)(CBHH)(CCO)	125.0190	0.000	1	125.0190	0.000	1	125.0190	0.000	1	125.0190	0.000	1	124.3320	1.817	4	124.3320	1.817	4
490	770	956	0:SP3_SP2_SP2	C	B	N	3:4:3:1:	3:4:4:	4:4:4:	N-3:C-4:B-3:H-1:	N-3:C-4:C-4:	C[5]-4:C-4:C-4:	C(NC[5]C)(CCCH)(BCN)(H)	B(NC[5]C)(CCCH)(CCHN)	N(C[5]C[5]2C)(CBCH)(CCCH)	C(NC[5]C)(CCCH)(BCN)(H)	B(NC[5]C)(CCCH)(CCHN)	N(C[5]C[5]2C)(CBCH)(CCCH)	125.8940	0.000	1	125.8940	0.000	1	125.8940	0.000	1	125.8940	0.000	1	124.3320	1.817	4	124.3320	1.817	4
490	770	956	0:SP3_SP2_SP3	C	B	N	3:4:3:1:	3:4:4:	4:4:4:	N-3:C-4:B-3:H-1:	N-3:C-4:C-4:	C[5]-4:C-4:C-4:	C(NC[5]C)(CCCH)(BCN)(H)	B(NC[5]C)(CCCH)(CCHN)	N(C[5]C[5]2C)(CBCH)(CCCH)	C(NC[5]C)(CCCH)(BCN)(H)	B(NC[5]C)(CCCH)(CCHN)	N(C[5]C[5]2C)(CBCH)(CCCH)	125.4470	0.000	1	125.4470	0.000	1	125.4470	0.000	1	125.4470	0.000	1	117.2830	133.302	2	117.2830	133.302	2
490	770	956	0:SP3_SP2_SP3	C	B	N	3:4:3:1:	4:4:2:	3:4:1:	N-3:C-4:B-3:H-1:	C-4:C-4:O-2:	C[6a]-3:C-4:H-1:	C(NC[6a]H)(CCCH)(BCO)(H)	B(CCCH)(CCHN)(OH)	N(C[6a]C[6a]2)(CBCH)(H)	C(NC[6a]H)(CCCH)(BCO)(H)	B(CCCH)(CCHN)(OH)	N(C[6a]C[6a]2)(CBCH)(H)	109.1190	0.000	1	109.1190	0.000	1	109.1190	0.000	1	109.1190	0.000	1	117.2830	133.302	2	117.2830	133.302	2
490	778	818	0:SP3_SP2_SPD5	C	C[3x3,4,3x5,14x6]	C[5]	5:3:4:4:	6:6:6:6:4:	4:3:3:	C[3x3,4,3x5,14x6]-5:C[5]-3:C-4:C-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:C[5]-3:C[5]-3:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2)(CH3)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[5]CC)	C[5](CC[3x3,4,3x5,14x6]CC)(C[5]C[5]H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2)(CH3)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[5]CC){1|B<6>,1|C<4>,5|H<1>}	C[5](CC[3x3,4,3x5,14x6]CC)(C[5]C[5]H)2{3|H<1>}	112.1620	0.000	1	112.1620	0.000	1	112.1620	0.000	1	112.1620	0.000	1	112.1620	0.000	1	112.1620	0.000	1
490	778	856	0:SP3_SP2_SPD5	C	C[3x3,3x5,12x6]	N[6]	5:3:1:1:	6:6:5:5:4:	4:3:3:	C[3x3,3x5,12x6]-5:N[6]-3:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:C-4:	C-4:C[6]-3:C[6]-3:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(N[6]C[6]2)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C)(CN[6]HH)	N[6](CC[3x3,3x5,12x6]HH)(C[6]C[6]H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(N[6]C[6]2)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C)(CN[6]HH){1|B<6>,6|H<1>}	N[6](CC[3x3,3x5,12x6]HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	113.6705	1.801	2	113.6705	3.244	2	112.5367	5.479	3	112.5367	5.479	3	112.5367	5.479	3	112.5367	5.479	3
490	778	856	0:SP3_SP2_SPD5	C	C[3x3,3x5,12x6]	N[6]	5:3:1:1:	6:6:5:5:4:	4:3:3:	C[3x3,3x5,12x6]-5:N[6]-3:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:C-4:	C-4:C[6]-3:C[6]-3:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(N[6]C[6]2)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(CN[6]HH)	N[6](CC[3x3,3x5,12x6]HH)(C[6]C[6]H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(N[6]C[6]2)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(CN[6]HH){1|B<6>,6|H<1>}	N[6](CC[3x3,3x5,12x6]HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	110.2690	0.000	1	110.2690	0.000	1	112.5367	5.479	3	112.5367	5.479	3	112.5367	5.479	3	112.5367	5.479	3
490	778	893	0:SP3_SP2_SPD5	C	C[3,4,4]	O	5:2:1:1:	5:5:3:4:1:	4:3:	C[3,4,4]-5:O-2:H-1:H-1:	O[3x3,4,4,5]-5:O[4x3,4]-5:H[3,4,4]-3:C-4:H-1:	C-4:C[6a]-3:	C(C[3,4,4]O[3x3,4,4,5]H[3,4,4]O[4x3,4]H)(OC[6a])(H)2	C[3,4,4](O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[4,5,5]O[4x3,4])(O[4x3,4]O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]H[3])(H[3,4,4]C[3x3,4,4]H[3])(CHHO)(H)	O(CC[3,4,4]HH)(C[6a]C[6a]2)	C(C[3,4,4]O[3x3,4,4,5]H[3,4,4]O[4x3,4]H)(OC[6a])(H)2	C[3,4,4](O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[4,5,5]O[4x3,4])(O[4x3,4]O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]H[3])(H[3,4,4]C[3x3,4,4]H[3])(CHHO)(H){3|H<1>,3|H<2>}	O(CC[3,4,4]HH)(C[6a]C[6a]2)	118.2350	0.000	1	118.2350	0.000	1	118.2350	0.000	1	118.2350	0.000	1	118.2350	0.000	1	118.2350	0.000	1
490	778	893	0:SP3_SP3_SPD5	C	C[3]	O	5:4:2:1:	2:2:4:2:1:	4:4:	C[3]-5:C-4:O-2:H-1:	H[3]-2:H[3]-2:C-4:O-2:H-1:	C-4:C-4:	C(C[3]H[3]2HO)(CC[3]CH)(OC)(H)	C[3](H[3]H[3])2(CCHO)(OC)(H)	O(CC[3]CH)(CH3)	C(C[3]H[3]2HO)(CC[3]CH)(OC)(H)	C[3](H[3]H[3])2(CCHO)(OC)(H)	O(CC[3]CH)(CH3)	111.2770	0.000	1	111.2770	0.000	1	111.2770	0.000	1	111.2770	0.000	1	111.2770	0.000	1	109.8956	2.998	11
490	778	893	0:SP3_SP3_SPD5	C	C[3x3,4,3x5,14x6]	O	5:3:2:1:	6:6:6:6:4:	4:1:	C[3x3,4,3x5,14x6]-5:C-3:O-2:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OH)(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(CCHO)	O(CC[3x3,4,3x5,14x6]CH)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OH)(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(CCHO){1|B<6>,1|C<3>,5|H<1>}	O(CC[3x3,4,3x5,14x6]CH)(H)	107.6730	0.000	1	107.6730	0.000	1	107.6730	0.000	1	109.3190	2.859	8	109.7575	3.098	10	109.8956	2.998	11
490	778	893	0:SP3_SP3_SPD5	C	C[3x3,4,3x5,14x6]	O	5:3:2:1:	6:6:6:6:4:	4:1:	C[3x3,4,3x5,14x6]-5:C[6]-3:O-2:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])(OH)(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]Pd)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(CC[6]HO)	O(CC[3x3,4,3x5,14x6]C[6]H)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])(OH)(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]Pd)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(CC[6]HO){1|B<6>,1|C<4>,5|H<1>}	O(CC[3x3,4,3x5,14x6]C[6]H)(H)	111.6275	0.241	2	111.6275	0.058	2	111.6275	0.058	2	109.3190	2.859	8	109.7575	3.098	10	109.8956	2.998	11
490	778	893	0:SP3_SP3_SPD5	C	C[3x3,4,3x5,14x6]	O	5:3:2:1:	6:6:6:6:4:	4:1:	C[3x3,4,3x5,14x6]-5:C[6a]-3:O-2:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(OH)(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(CC[6a]HO)	O(CC[3x3,4,3x5,14x6]C[6a]H)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(OH)(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(CC[6a]HO){1|B<6>,1|C<3>,5|H<1>}	O(CC[3x3,4,3x5,14x6]C[6a]H)(H)	106.8160	0.000	1	106.8160	0.000	1	108.7248	1.206	5	109.3190	2.859	8	109.7575	3.098	10	109.8956	2.998	11
490	778	893	0:SP3_SP3_SPD5	C	C[3x3,4,3x5,14x6]	O	5:3:2:1:	6:6:6:6:4:	4:1:	C[3x3,4,3x5,14x6]-5:C[6a]-3:O-2:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(OH)(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(CC[6a]HO)	O(CC[3x3,4,3x5,14x6]C[6a]H)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(OH)(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(CC[6a]HO){1|B<6>,1|C<4>,5|H<1>}	O(CC[3x3,4,3x5,14x6]C[6a]H)(H)	109.2020	0.300	4	109.2020	0.090	4	108.7248	1.206	5	109.3190	2.859	8	109.7575	3.098	10	109.8956	2.998	11
490	778	893	0:SP3_SP3_SPD5	C	C[3x3,4,3x5,14x6]	O	5:3:2:1:	6:6:6:6:4:	4:4:	C[3x3,4,3x5,14x6]-5:C-3:O-2:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:Si-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OSi)(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(CCHO)	O(CC[3x3,4,3x5,14x6]CH)(SiCCO)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OSi)(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(CCHO){1|B<6>,1|C<4>,5|H<1>}	O(CC[3x3,4,3x5,14x6]CH)(SiCCO)	111.5115	0.419	2	111.5115	0.176	2	111.5115	0.176	2	111.5115	0.176	2	109.7575	3.098	10	109.8956	2.998	11
490	778	930	0:SP3_SP2_SPD5	C	C[3x3,4,3x5,14x6]	C	5:3:2:1:	6:6:6:6:4:	4:3:1:	C[3x3,4,3x5,14x6]-5:C-3:O-2:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:C-3:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OH)(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(CCHO)	C(CC[3x3,4,3x5,14x6]HO)(CC[6a]H)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OH)(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(CCHO){1|B<6>,1|C<3>,5|H<1>}	C(CC[3x3,4,3x5,14x6]HO)(CC[6a]H)(H)	112.6570	0.000	1	112.6570	0.000	1	111.6083	0.833	3	111.6083	0.833	3	111.6083	0.833	3	111.6083	0.833	3
490	778	930	0:SP3_SP2_SPD5	C	C[3x3,4,3x5,14x6]	C	5:3:2:1:	6:6:6:6:4:	4:3:1:	C[3x3,4,3x5,14x6]-5:C-3:O-2:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:C-3:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OSi)(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(CCHO)	C(CC[3x3,4,3x5,14x6]HO)(CC[6a]H)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OSi)(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(CCHO){1|B<6>,1|C<4>,5|H<1>}	C(CC[3x3,4,3x5,14x6]HO)(CC[6a]H)(H)	111.0840	0.130	2	111.0840	0.017	2	111.6083	0.833	3	111.6083	0.833	3	111.6083	0.833	3	111.6083	0.833	3
490	778	941	0:SP3_SP2_SPD5	C	C[3x3,4,3x5,14x6]	N	5:2:1:1:	6:6:6:6:4:	4:4:	C[3x3,4,3x5,14x6]-5:N-2:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:S-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NS)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN)	N(CC[3x3,4,3x5,14x6]HH)(SNOO)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NS)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN){1|B<6>,5|C<3>,5|H<1>}	N(CC[3x3,4,3x5,14x6]HH)(SNOO)	111.9430	0.000	1	111.9430	0.000	1	111.9430	0.000	1	111.9430	0.000	1	111.9430	0.000	1	111.9430	0.000	1
490	778	951	0:SP3_SP-NON_SPD5	C	C[3,3,5,3x6]	H	5:4:1:1:	6:5:5:4:1:	4:	C[3,3,5,3x6]-5:C-4:H-1:H-1:	B[5x3,5,5,6]-6:B[3x3,5,5,4x6]-5:B[3x3,5,5,4x6]-5:C-4:H-1:	C-4:	C(C[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]H)(CCHH)(H)2	C[3,3,5,3x6](B[5x3,5,5,6]B[3x3,5,5,4x6]2B[5x3,5,5,6]2H)(B[3x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(B[3x3,5,5,4x6]B[5x3,5,5,6]2C[3,3,5,3x6]H)(CCHH)(H)	H(CC[3,3,5,3x6]CH)	C(C[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]H)(CCHH)(H)2	C[3,3,5,3x6](B[5x3,5,5,6]B[3x3,5,5,4x6]2B[5x3,5,5,6]2H)(B[3x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(B[3x3,5,5,4x6]B[5x3,5,5,6]2C[3,3,5,3x6]H)(CCHH)(H){1|B<6>,1|H<2>,6|H<1>}	H(CC[3,3,5,3x6]CH)	109.4155	0.053	2	109.4155	0.003	2	109.4155	0.003	2	109.4155	0.003	2	109.4487	0.005	3	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3,3,5,3x6]	H	5:4:1:1:	6:6:5:4:1:	4:	C[3,3,5,3x6]-5:C-4:H-1:H-1:	B[5x3,5,5,6]-6:B[4x3,5,5,4x6]-6:B[3x3,5,5,4x6]-5:C-4:H-1:	C-4:	C(C[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(CCHH)(H)2	C[3,3,5,3x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]2H)(B[4x3,5,5,4x6]B[4x3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[3x3,5,5,4x6]B[5x3,5,5,6]2C[3,3,5,3x6]H)(CCHH)(H)	H(CC[3,3,5,3x6]CH)	C(C[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(CCHH)(H)2	C[3,3,5,3x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]2H)(B[4x3,5,5,4x6]B[4x3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[3x3,5,5,4x6]B[5x3,5,5,6]2C[3,3,5,3x6]H)(CCHH)(H){1|B<6>,1|H<2>,5|H<1>}	H(CC[3,3,5,3x6]CH)	109.5150	0.000	1	109.5150	0.000	1	109.5150	0.000	1	109.5150	0.000	1	109.4487	0.005	3	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3,4,4]	H	5:2:1:1:	5:5:3:4:1:	4:	C[3,4,4]-5:O-2:H-1:H-1:	O[3x3,4,4,5]-5:O[4x3,4]-5:H[3,4,4]-3:C-4:H-1:	C-4:	C(C[3,4,4]O[3x3,4,4,5]H[3,4,4]O[4x3,4]H)(OC[6a])(H)2	C[3,4,4](O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[4,5,5]O[4x3,4])(O[4x3,4]O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]H[3])(H[3,4,4]C[3x3,4,4]H[3])(CHHO)(H)	H(CC[3,4,4]HO)	C(C[3,4,4]O[3x3,4,4,5]H[3,4,4]O[4x3,4]H)(OC[6a])(H)2	C[3,4,4](O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[4,5,5]O[4x3,4])(O[4x3,4]O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]H[3])(H[3,4,4]C[3x3,4,4]H[3])(CHHO)(H){3|H<1>,3|H<2>}	H(CC[3,4,4]HO)	116.3390	6.416	2	116.3390	41.169	2	116.3390	41.169	2	116.3390	41.169	2	116.3390	41.169	2	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3]	H	5:1:1:1:	3:5:2:2:4:	4:	C[3]-5:H-1:H-1:H-1:	C[6a]-3:C[3]-5:H[3]-2:N-2:C-4:	C-4:	C(C[3]C[6a]C[3]H[3]N)(H)3	C[3](C[6a]C[6a]N[6a])(C[3]H[3]CHH)(H[3]C[3])(NC[6a])(CH3)	H(CC[3]HH)	C(C[3]C[6a]C[3]H[3]N)(H)3	C[3](C[6a]C[6a]N[6a])(C[3]H[3]CHH)(H[3]C[3])(NC[6a])(CH3){1|H<1>,2|C<3>}	H(CC[3]HH)	109.5193	0.027	3	109.5193	0.001	3	109.5193	0.001	3	109.5193	0.001	3	109.4023	28.203	13	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3]	H	5:1:1:1:	4:4:2:4:1:	4:	C[3]-5:H-1:H-1:H-1:	C[6]-4:C[3]-4:H[3]-2:C-4:H-1:	C-4:	C(C[3]C[3]C[6]H[3]H)(H)3	C[3](C[6]C[6]2Ru)(C[3]H[3]HH)(H[3]C[3])(CH3)(H)	H(CC[3]HH)	C(C[3]C[3]C[6]H[3]H)(H)3	C[3](C[6]C[6]2Ru)(C[3]H[3]HH)(H[3]C[3])(CH3)(H){2|C<4>,2|H<1>}	H(CC[3]HH)	109.2071	11.367	3	109.2071	129.217	3	109.2071	129.217	3	109.2071	129.217	3	109.4023	28.203	13	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3]	H	5:3:1:1:	4:3:4:1:1:	4:	C[3]-5:O[3]-3:H-1:H-1:	O[3,3,4]-4:O[3,3]-3:C-4:H-1:H-1:	C-4:	C(C[3]O[3,3,4]O[3,3]HH)(O[3]C[3,3]C[3x3])(H)2	C[3](O[3,3,4]C[3,4]O[3,3]C[4])(O[3,3]O[3,3,4]C[3,4])(CO[3]HH)(H)2	H(CC[3]O[3]H)	C(C[3]O[3,3,4]O[3,3]HH)(O[3]C[3,3]C[3x3])(H)2	C[3](O[3,3,4]C[3,4]O[3,3]C[4])(O[3,3]O[3,3,4]C[3,4])(CO[3]HH)(H)2{1|C<5>}	H(CC[3]O[3]H)	106.3335	1.576	2	106.3335	2.484	2	106.3335	2.484	2	106.3335	2.484	2	109.4023	28.203	13	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3]	H	5:4:1:1:	4:4:4:1:1:	4:	C[3]-5:C-4:H-1:H-1:	C[3,3]-4:C[3,3]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3,3]2HH)(CH3)(H)2	C[3](C[3,3]C[3,3]C[3]H)2(CCHH)(H)2	H(CC[3]CH)	C(C[3]C[3,3]2HH)(CH3)(H)2	C[3](C[3,3]C[3,3]C[3]H)2(CCHH)(H)2{1|C<4>,2|H<1>}	H(CC[3]CH)	114.5095	0.037	2	114.5095	0.001	2	114.5095	0.001	2	114.5095	0.001	2	109.4023	28.203	13	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3]	H	5:4:1:1:	6:3:4:1:1:	4:	C[3]-5:C[3]-4:H-1:H-1:	C[3x3]-6:C[3,3]-3:C-4:H-1:H-1:	C-4:	C(C[3]C[3,3]C[3x3]HH)(C[3]C[3,6]O[3]C)(H)2	C[3](C[3x3]C[3x3,4]C[3,3]C[3x3]HH)(C[3,3]C[3x3,4]C[3x3])(CC[3]HH)(H)2	H(CC[3]2H)	C(C[3]C[3,3]C[3x3]HH)(C[3]C[3,6]O[3]C)(H)2	C[3](C[3x3]C[3x3,4]C[3,3]C[3x3]HH)(C[3,3]C[3x3,4]C[3x3])(CC[3]HH)(H)2{1|C<2>,1|C<5>,1|H<2>,2|C<4>}	H(CC[3]2H)	108.6115	0.009	2	108.6115	0.000	2	108.6115	0.000	2	108.6115	0.000	2	109.4023	28.203	13	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3]	H	5:4:2:1:	2:2:4:2:1:	4:	C[3]-5:C-4:O-2:H-1:	H[3]-2:H[3]-2:C-4:O-2:H-1:	C-4:	C(C[3]H[3]2HO)(CC[3]CH)(OC)(H)	C[3](H[3]H[3])2(CCHO)(OC)(H)	H(CC[3]CO)	C(C[3]H[3]2HO)(CC[3]CH)(OC)(H)	C[3](H[3]H[3])2(CCHO)(OC)(H)	H(CC[3]CO)	107.1420	0.000	1	107.1420	0.000	1	107.1420	0.000	1	107.1420	0.000	1	109.4023	28.203	13	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,3x5,12x6]	H	5:1:1:1:	6:6:5:5:4:	4:	C[3x3,3x5,12x6]-5:H-1:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(H)3	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2P)(CH3)	H(CC[3x3,3x5,12x6]HH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(H)3	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2P)(CH3){1|B<6>,6|H<1>}	H(CC[3x3,3x5,12x6]HH)	109.5020	0.031	2	109.5020	0.001	2	109.4818	0.001	8	109.4768	0.001	11	109.7756	1.214	35	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,3x5,12x6]	H	5:1:1:1:	6:6:5:5:4:	4:	C[3x3,3x5,12x6]-5:H-1:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(H)3	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C)(CH3)	H(CC[3x3,3x5,12x6]HH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(H)3	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C)(CH3){1|B<6>,1|O<2>,5|H<1>}	H(CC[3x3,3x5,12x6]HH)	109.4760	0.030	3	109.4760	0.001	3	109.4818	0.001	8	109.4768	0.001	11	109.7756	1.214	35	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,3x5,12x6]	H	5:1:1:1:	6:6:5:5:4:	4:	C[3x3,3x5,12x6]-5:H-1:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(H)3	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C)(CH3)	H(CC[3x3,3x5,12x6]HH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(H)3	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C)(CH3){1|B<6>,1|N<3>,1|O<2>,4|H<1>}	H(CC[3x3,3x5,12x6]HH)	109.4740	0.032	3	109.4740	0.001	3	109.4818	0.001	8	109.4768	0.001	11	109.7756	1.214	35	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,3x5,12x6]	H	5:1:1:1:	6:6:5:5:4:	4:	C[3x3,3x5,12x6]-5:H-1:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:C-4:	C-4:	C(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2)(H)3	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2N)(CH3)	H(CC[3x3,3x5,12x6]HH)	C(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2)(H)3	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2N)(CH3){1|B<6>,1|H<2>,5|H<1>}	H(CC[3x3,3x5,12x6]HH)	109.4637	0.009	3	109.4637	0.000	3	109.4637	0.000	3	109.4768	0.001	11	109.7756	1.214	35	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,3x5,12x6]	H	5:1:1:1:	6:6:6:5:4:	4:	C[3x3,3x5,12x6]-5:H-1:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:C-4:	C-4:	C(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(H)3	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C)(CH3)	H(CC[3x3,3x5,12x6]HH)	C(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(H)3	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C)(CH3){1|Al<5>,1|B<6>,1|H<2>,4|H<1>}	H(CC[3x3,3x5,12x6]HH)	109.4617	0.024	3	109.4617	0.001	3	109.4565	0.001	6	109.4565	0.001	6	109.7756	1.214	35	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,3x5,12x6]	H	5:1:1:1:	6:6:6:5:4:	4:	C[3x3,3x5,12x6]-5:H-1:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:C-4:	C-4:	C(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(H)3	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2P)(CH3)	H(CC[3x3,3x5,12x6]HH)	C(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(H)3	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2P)(CH3){1|B<6>,1|P<4>,4|H<1>}	H(CC[3x3,3x5,12x6]HH)	109.4513	0.035	3	109.4513	0.001	3	109.4565	0.001	6	109.4565	0.001	6	109.7756	1.214	35	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,3x5,12x6]	H	5:3:1:1:	6:6:5:5:4:	4:	C[3x3,3x5,12x6]-5:N-3:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NCH)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(CHHN)	H(CC[3x3,3x5,12x6]HN)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NCH)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(CHHN){1|B<6>,6|H<1>}	H(CC[3x3,3x5,12x6]HN)	110.8335	1.214	2	110.8335	1.474	2	110.8335	1.474	2	110.2680	3.468	8	109.7756	1.214	35	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,3x5,12x6]	H	5:3:1:1:	6:6:5:5:4:	4:	C[3x3,3x5,12x6]-5:N[6]-3:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(N[6]C[6]2)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C)(CN[6]HH)	H(CC[3x3,3x5,12x6]N[6]H)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(N[6]C[6]2)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C)(CN[6]HH){1|B<6>,6|H<1>}	H(CC[3x3,3x5,12x6]N[6]H)	109.5478	2.310	4	109.5478	5.338	4	110.0795	4.390	6	110.2680	3.468	8	109.7756	1.214	35	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,3x5,12x6]	H	5:3:1:1:	6:6:5:5:4:	4:	C[3x3,3x5,12x6]-5:N[6]-3:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(N[6]C[6]2)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(CN[6]HH)	H(CC[3x3,3x5,12x6]N[6]H)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(N[6]C[6]2)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(CN[6]HH){1|B<6>,6|H<1>}	H(CC[3x3,3x5,12x6]N[6]H)	111.1430	1.594	2	111.1430	2.540	2	110.0795	4.390	6	110.2680	3.468	8	109.7756	1.214	35	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,3x5,12x6]	H	5:3:1:1:	6:6:6:5:4:	4:	C[3x3,3x5,12x6]-5:N-3:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:C-4:	C-4:	C(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NCH)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(CHHN)	H(CC[3x3,3x5,12x6]HN)	C(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NCH)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(CHHN){1|B<6>,5|H<1>}	H(CC[3x3,3x5,12x6]HN)	109.6950	0.017	2	109.6950	0.000	2	109.6950	0.000	2	109.6950	0.000	2	109.7756	1.214	35	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,3x5,12x6]	H	5:4:1:1:	6:6:5:5:4:	4:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CCHH)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(CCHH)	H(CC[3x3,3x5,12x6]CH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CCHH)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(CCHH){1|B<6>,6|H<1>}	H(CC[3x3,3x5,12x6]CH)	111.5850	0.853	2	111.5850	0.727	2	110.3290	1.964	6	110.3290	1.964	6	109.7756	1.214	35	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,3x5,12x6]	H	5:4:1:1:	6:6:5:5:4:	4:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CN[5]HH)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(CCHH)	H(CC[3x3,3x5,12x6]CH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CN[5]HH)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(CCHH){1|B<6>,6|H<1>}	H(CC[3x3,3x5,12x6]CH)	109.7010	1.206	4	109.7010	1.454	4	110.3290	1.964	6	110.3290	1.964	6	109.7756	1.214	35	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,3x5,12x6]	H	5:4:1:1:	6:6:6:5:4:	4:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:C-4:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CHHN)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2AlH)(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C)(CCHH)	H(CC[3x3,3x5,12x6]CH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CHHN)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2AlH)(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C)(CCHH){1|B<6>,1|H<2>,5|H<1>}	H(CC[3x3,3x5,12x6]CH)	108.8265	0.013	2	108.8265	0.000	2	108.8265	0.000	2	108.8265	0.000	2	109.7756	1.214	35	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:1:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:H-1:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3)	H(CC[3x3,4,3x5,14x6]HH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3){1|B<6>,1|C<3>,5|H<1>}	H(CC[3x3,4,3x5,14x6]HH)	110.3895	2.105	24	109.8154	2.806	78	109.8154	2.806	78	109.7694	2.442	90	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:1:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:H-1:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3)	H(CC[3x3,4,3x5,14x6]HH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3){1|B<6>,1|C<4>,2|H<1>,3|F<1>}	H(CC[3x3,4,3x5,14x6]HH)	109.5065	0.026	2	109.8154	2.806	78	109.8154	2.806	78	109.7694	2.442	90	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:1:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:H-1:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3)	H(CC[3x3,4,3x5,14x6]HH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3){1|B<6>,1|C<4>,5|H<1>}	H(CC[3x3,4,3x5,14x6]HH)	109.4420	0.044	3	109.8154	2.806	78	109.8154	2.806	78	109.7694	2.442	90	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:1:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:H-1:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3)	H(CC[3x3,4,3x5,14x6]HH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3){1|B<6>,1|N<2>,5|H<1>}	H(CC[3x3,4,3x5,14x6]HH)	109.4767	0.021	4	109.8154	2.806	78	109.8154	2.806	78	109.7694	2.442	90	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:1:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:H-1:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3)	H(CC[3x3,4,3x5,14x6]HH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3){1|B<6>,1|O<2>,1|S<2>,4|H<1>}	H(CC[3x3,4,3x5,14x6]HH)	109.4710	0.035	3	109.8154	2.806	78	109.8154	2.806	78	109.7694	2.442	90	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:1:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:H-1:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3)	H(CC[3x3,4,3x5,14x6]HH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3){1|B<6>,1|P<3>,5|H<1>}	H(CC[3x3,4,3x5,14x6]HH)	111.0620	6.912	3	109.8154	2.806	78	109.8154	2.806	78	109.7694	2.442	90	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:1:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:H-1:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3)	H(CC[3x3,4,3x5,14x6]HH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3){1|B<6>,1|S<2>,5|H<1>}	H(CC[3x3,4,3x5,14x6]HH)	109.4639	0.042	8	109.8154	2.806	78	109.8154	2.806	78	109.7694	2.442	90	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:1:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:H-1:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3)	H(CC[3x3,4,3x5,14x6]HH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3){1|B<6>,2|C<4>,2|F<1>,2|H<1>}	H(CC[3x3,4,3x5,14x6]HH)	109.4747	0.012	3	109.8154	2.806	78	109.8154	2.806	78	109.7694	2.442	90	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:1:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:H-1:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3)	H(CC[3x3,4,3x5,14x6]HH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3){1|Br<1>,1|B<6>,1|S<2>,4|H<1>}	H(CC[3x3,4,3x5,14x6]HH)	109.4817	0.040	3	109.8154	2.806	78	109.8154	2.806	78	109.7694	2.442	90	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:1:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:H-1:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3)	H(CC[3x3,4,3x5,14x6]HH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3){1|Ir<8>,1|B<6>,1|C<3>,4|H<1>}	H(CC[3x3,4,3x5,14x6]HH)	109.5010	0.042	3	109.8154	2.806	78	109.8154	2.806	78	109.7694	2.442	90	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:1:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:H-1:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3)	H(CC[3x3,4,3x5,14x6]HH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3){1|Ir<8>,1|B<6>,1|S<2>,4|H<1>}	H(CC[3x3,4,3x5,14x6]HH)	109.4847	0.039	3	109.8154	2.806	78	109.8154	2.806	78	109.7694	2.442	90	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:1:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:H-1:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3)	H(CC[3x3,4,3x5,14x6]HH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3){1|Rh<8>,1|B<6>,1|S<2>,4|H<1>}	H(CC[3x3,4,3x5,14x6]HH)	109.4173	0.029	3	109.8154	2.806	78	109.8154	2.806	78	109.7694	2.442	90	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:1:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:H-1:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3)	H(CC[3x3,4,3x5,14x6]HH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)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(CH3){1|Se<2>,1|B<6>,5|H<1>}	H(CC[3x3,4,3x5,14x6]HH)	109.4762	0.033	16	109.8154	2.806	78	109.8154	2.806	78	109.7694	2.442	90	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:1:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:H-1:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,22x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(H)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)(B[5x3,4x5,17x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,22x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[6])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(CH3)	H(CC[3x3,4,3x5,14x6]HH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(H)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)(B[5x3,4x5,17x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,22x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[6])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(CH3){1|B<6>,1|C<4>,2|C<3>,5|H<1>}	H(CC[3x3,4,3x5,14x6]HH)	109.4777	0.034	9	109.4706	0.001	12	109.4706	0.001	12	109.7694	2.442	90	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:1:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:H-1:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,22x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(H)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)(B[5x3,4x5,17x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,22x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[6])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(CH3)	H(CC[3x3,4,3x5,14x6]HH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(H)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)(B[5x3,4x5,17x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,22x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[6])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(CH3){1|B<6>,3|C<3>,5|H<1>}	H(CC[3x3,4,3x5,14x6]HH)	109.4493	0.044	3	109.4706	0.001	12	109.4706	0.001	12	109.7694	2.442	90	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:2:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:N-2:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NS)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN)	H(CC[3x3,4,3x5,14x6]HN)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NS)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN){1|B<6>,5|C<3>,5|H<1>}	H(CC[3x3,4,3x5,14x6]HN)	107.5500	1.039	2	107.5500	1.080	2	107.5500	1.080	2	107.5500	1.080	2	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:3:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a,6a]2)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[6a]HH)	H(CC[3x3,4,3x5,14x6]C[6a]H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a,6a]2)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[6a]HH){1|B<6>,1|C<3>,5|H<1>}	H(CC[3x3,4,3x5,14x6]C[6a]H)	108.1235	0.005	2	108.1235	0.000	2	108.1980	8.032	22	108.0363	6.121	32	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:3:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[6a]HH)	H(CC[3x3,4,3x5,14x6]C[6a]H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[6a]HH){1|B<6>,1|C<3>,5|H<1>}	H(CC[3x3,4,3x5,14x6]C[6a]H)	108.2054	2.979	20	108.2054	8.876	20	108.1980	8.032	22	108.0363	6.121	32	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:3:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:N-3:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NCH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN)	H(CC[3x3,4,3x5,14x6]HN)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NCH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN){1|B<6>,5|C<3>,5|H<1>}	H(CC[3x3,4,3x5,14x6]HN)	108.4920	0.028	2	108.4920	0.001	2	107.6807	2.137	10	108.0363	6.121	32	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:3:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:N-3:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NHH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN)	H(CC[3x3,4,3x5,14x6]HN)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NHH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN){1|B<6>,1|C<4>,4|C<3>,5|H<1>}	H(CC[3x3,4,3x5,14x6]HN)	107.4375	3.293	2	107.3450	3.433	6	107.6807	2.137	10	108.0363	6.121	32	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:3:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:N-3:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NHH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN)	H(CC[3x3,4,3x5,14x6]HN)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NHH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN){1|B<6>,5|C<3>,5|H<1>}	H(CC[3x3,4,3x5,14x6]HN)	107.2987	1.449	4	107.3450	3.433	6	107.6807	2.137	10	108.0363	6.121	32	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:3:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:N-3:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NHH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN)	H(CC[3x3,4,3x5,14x6]HN)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NHH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN){1|B<6>,1|C<3>,5|H<1>}	H(CC[3x3,4,3x5,14x6]HN)	107.8765	0.006	2	107.8765	0.000	2	107.6807	2.137	10	108.0363	6.121	32	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:3:2:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:C-3:O-2:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OH)(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(CCHO)	H(CC[3x3,4,3x5,14x6]CO)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OH)(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(CCHO){1|B<6>,1|C<3>,5|H<1>}	H(CC[3x3,4,3x5,14x6]CO)	107.4060	0.000	1	107.4060	0.000	1	108.1807	0.469	3	108.4344	0.257	10	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:3:2:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:C-3:O-2:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OSi)(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(CCHO)	H(CC[3x3,4,3x5,14x6]CO)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OSi)(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(CCHO){1|B<6>,1|C<4>,5|H<1>}	H(CC[3x3,4,3x5,14x6]CO)	108.5680	0.197	2	108.5680	0.039	2	108.1807	0.469	3	108.4344	0.257	10	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:3:2:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:C[6]-3:O-2:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])(OH)(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]Pd)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(CC[6]HO)	H(CC[3x3,4,3x5,14x6]C[6]O)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])(OH)(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]Pd)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(CC[6]HO){1|B<6>,1|C<4>,5|H<1>}	H(CC[3x3,4,3x5,14x6]C[6]O)	108.5575	0.098	2	108.5575	0.010	2	108.5575	0.010	2	108.4344	0.257	10	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:3:2:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:O-2:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(OH)(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(CC[6a]HO)	H(CC[3x3,4,3x5,14x6]C[6a]O)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(OH)(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(CC[6a]HO){1|B<6>,1|C<3>,5|H<1>}	H(CC[3x3,4,3x5,14x6]C[6a]O)	108.6990	0.000	1	108.6990	0.000	1	108.5374	0.271	5	108.4344	0.257	10	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:3:2:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:O-2:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(OH)(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(CC[6a]HO)	H(CC[3x3,4,3x5,14x6]C[6a]O)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(OH)(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(CC[6a]HO){1|B<6>,1|C<4>,5|H<1>}	H(CC[3x3,4,3x5,14x6]C[6a]O)	108.4970	0.592	4	108.4970	0.351	4	108.5374	0.271	5	108.4344	0.257	10	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:3:3:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:N-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(NCC)(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(CC[6a]HN)	H(CC[3x3,4,3x5,14x6]C[6a]N)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(NCC)(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(CC[6a]HN){1|B<6>,1|C<3>,5|H<1>}	H(CC[3x3,4,3x5,14x6]C[6a]N)	104.7790	0.000	1	104.7790	0.000	1	104.7790	0.000	1	104.7790	0.000	1	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:3:4:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:C[6]-3:N-4:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])(NPdCH)(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(CC[6]HN)	H(CC[3x3,4,3x5,14x6]C[6]N)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])(NPdCH)(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(CC[6]HN){1|B<6>,1|C<4>,5|H<1>}	H(CC[3x3,4,3x5,14x6]C[6]N)	108.2580	0.000	1	108.2580	0.000	1	108.2580	0.000	1	108.2580	0.000	1	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:4:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCCH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CCHH)	H(CC[3x3,4,3x5,14x6]CH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCCH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CCHH){1|B<6>,1|C<3>,5|H<1>}	H(CC[3x3,4,3x5,14x6]CH)	107.9142	0.298	8	107.9142	0.089	8	108.0407	0.146	26	108.1838	0.234	31	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:4:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CCHH)	H(CC[3x3,4,3x5,14x6]CH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CCHH){1|B<6>,1|C<3>,5|H<1>}	H(CC[3x3,4,3x5,14x6]CH)	108.1190	0.390	15	108.1190	0.152	15	108.0407	0.146	26	108.1838	0.234	31	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:4:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CHHN)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CCHH)	H(CC[3x3,4,3x5,14x6]CH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CHHN)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CCHH){1|B<6>,1|C<4>,5|H<1>}	H(CC[3x3,4,3x5,14x6]CH)	108.6600	0.000	1	108.6600	0.000	1	108.0407	0.146	26	108.1838	0.234	31	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:4:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CN[5]HH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CCHH)	H(CC[3x3,4,3x5,14x6]CH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CN[5]HH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CCHH){1|Rh<6>,1|B<6>,5|H<1>}	H(CC[3x3,4,3x5,14x6]CH)	107.6500	0.048	2	107.6500	0.002	2	108.0407	0.146	26	108.1838	0.234	31	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:4:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:P-4:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PIrCC)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHP)	H(CC[3x3,4,3x5,14x6]HP)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PIrCC)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHP){1|Ir<6>,1|B<6>,5|H<1>}	H(CC[3x3,4,3x5,14x6]HP)	108.9278	0.129	5	108.9278	0.017	5	108.9278	0.017	5	108.1838	0.234	31	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:4:4:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:C-4:C-4:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(CHHN)(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(CCCH)	H(CC[3x3,4,3x5,14x6]CC)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(CHHN)(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(CCCH){1|Zr<13>,1|B<6>,5|H<1>}	H(CC[3x3,4,3x5,14x6]CC)	106.2620	0.000	1	106.2620	0.000	1	106.9002	0.318	4	106.9002	0.318	4	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:4:4:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:C-4:C-4:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)2(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CCCH)	H(CC[3x3,4,3x5,14x6]CC)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)2(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CCCH){1|B<6>,1|C<3>,2|O<2>,3|H<1>}	H(CC[3x3,4,3x5,14x6]CC)	106.9150	0.419	2	106.9150	0.175	2	106.9002	0.318	4	106.9002	0.318	4	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x5,14x6]	H	5:4:4:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:C-4:C-4:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CZrHH)(CHHP)(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(CCCH)	H(CC[3x3,4,3x5,14x6]CC)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CZrHH)(CHHP)(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(CCCH){1|Zr<12>,1|B<6>,5|H<1>}	H(CC[3x3,4,3x5,14x6]CC)	107.5090	0.000	1	107.5090	0.000	1	106.9002	0.318	4	106.9002	0.318	4	108.9485	3.324	171	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,4,3x6]	H	5:1:1:1:	6:6:6:6:4:	4:	C[3x3,4,3x6]-5:H-1:H-1:H-1:	B[4x3,4,5,5,4x6]-6:B[4x3,4,5,5,4x6]-6:B[3x3,5,4x6]-6:B[3x3,5,4x6]-6:C-4:	C-4:	C(C[3x3,4,3x6]B[4x3,4,5,5,4x6]2B[3x3,5,4x6]2)(H)3	C[3x3,4,3x6](B[4x3,4,5,5,4x6]B[4x3,4,4x5,6x6]B[3x3,5,4x6]B[5x3,5,4x6]C[3x3,5,4x6]H)(B[4x3,4,5,5,4x6]B[4x3,4,4x5,6x6]B[3x3,5,4x6]2B[5x3,5,4x6]H)(B[3x3,5,4x6]B[4x3,4,5,5,4x6]B[3x3,5,4x6]C[3x3,5,4x6]RuH)(B[3x3,5,4x6]B[4x3,4,5,5,4x6]B[3x3,5,4x6]2RuH)(CH3)	H(CC[3x3,4,3x6]HH)	C(C[3x3,4,3x6]B[4x3,4,5,5,4x6]2B[3x3,5,4x6]2)(H)3	C[3x3,4,3x6](B[4x3,4,5,5,4x6]B[4x3,4,4x5,6x6]B[3x3,5,4x6]B[5x3,5,4x6]C[3x3,5,4x6]H)(B[4x3,4,5,5,4x6]B[4x3,4,4x5,6x6]B[3x3,5,4x6]2B[5x3,5,4x6]H)(B[3x3,5,4x6]B[4x3,4,5,5,4x6]B[3x3,5,4x6]C[3x3,5,4x6]RuH)(B[3x3,5,4x6]B[4x3,4,5,5,4x6]B[3x3,5,4x6]2RuH)(CH3){1|C<4>,3|B<6>,4|H<1>}	H(CC[3x3,4,3x6]HH)	109.4520	0.036	3	109.4520	0.001	3	109.4520	0.001	3	109.4520	0.001	3	109.4520	0.001	3	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,5,5,7x6]	H	5:1:1:1:	6:6:6:4:4:	4:	C[3x3,5,5,7x6]-5:H-1:H-1:H-1:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:C[3,3,5,4x6]-4:C-4:	C-4:	C(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6])(H)3	C[3x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C)(CH3)	H(CC[3x3,5,5,7x6]HH)	C(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6])(H)3	C[3x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C)(CH3){1|B<5>,4|H<1>}	H(CC[3x3,5,5,7x6]HH)	109.4980	0.231	3	109.4980	0.053	3	109.4980	0.053	3	109.4980	0.053	3	109.4980	0.053	3	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[3x3,5,5,8x6]	H	5:3:1:1:	6:6:5:5:4:	4:	C[3x3,5,5,8x6]-5:C[6a]-3:H-1:H-1:	B[5x3,5,5,5x6]-6:B[5x3,3x5,6,6]-6:B[3x3,5,5,8x6]-5:B[3x3,5,6x6]-5:C-4:	C-4:	C(C[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6])(C[6a]C[6a]2)(H)2	C[3x3,5,5,8x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[5x3,3x5,6,6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]2H)(B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(CC[6a]HH)	H(CC[3x3,5,5,8x6]C[6a]H)	C(C[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6])(C[6a]C[6a]2)(H)2	C[3x3,5,5,8x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[5x3,3x5,6,6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]2H)(B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(CC[6a]HH){1|B<4>,1|B<6>,1|C<4>,4|H<1>}	H(CC[3x3,5,5,8x6]C[6a]H)	108.3150	0.071	2	108.3150	0.005	2	108.3150	0.005	2	108.3150	0.005	2	108.3150	0.005	2	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[4x3,4x5,4x6]	H	5:1:1:1:	6:6:6:6:4:	4:	C[4x3,4x5,4x6]-5:H-1:H-1:H-1:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:C[5x3,4,9x5,6,6]-6:C-4:	C-4:	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6])(H)3	C[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]H)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(CH3)	H(CC[4x3,4x5,4x6]HH)	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6])(H)3	C[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]H)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(CH3){1|B<5>,4|H<1>}	H(CC[4x3,4x5,4x6]HH)	109.4805	0.021	2	109.4805	0.000	2	109.4805	0.000	2	109.4805	0.000	2	108.6486	0.621	7	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[4x3,4x5,4x6]	H	5:3:1:1:	6:6:6:6:4:	4:	C[4x3,4x5,4x6]-5:C[6a]-3:H-1:H-1:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:C-4:	C-4:	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6a]C[6a]2)(H)2	C[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4Cl)4(CC[6a]HH)	H(CC[4x3,4x5,4x6]C[6a]H)	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6a]C[6a]2)(H)2	C[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4Cl)4(CC[6a]HH){4|Cl<1>,1|B<5>}	H(CC[4x3,4x5,4x6]C[6a]H)	107.5835	0.019	2	107.5835	0.000	2	107.5835	0.000	2	107.5835	0.000	2	108.6486	0.621	7	109.1615	4.700	239
490	778	951	0:SP3_SP-NON_SPD5	C	C[4x3,4x5,4x6]	H	5:4:1:1:	6:6:6:6:4:	4:	C[4x3,4x5,4x6]-5:C-4:H-1:H-1:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:C-4:	C-4:	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(CC[6a]HH)(H)2	C[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)4(CCHH)	H(CC[4x3,4x5,4x6]CH)	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(CC[6a]HH)(H)2	C[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)4(CCHH){1|B<5>,4|H<1>}	H(CC[4x3,4x5,4x6]CH)	108.8040	0.026	3	108.8040	0.001	3	108.8040	0.001	3	108.8040	0.001	3	108.6486	0.621	7	109.1615	4.700	239
490	778	956	0:SP3_SP2_SPD5	C	C[3x3,3x5,12x6]	N	5:3:1:1:	6:6:5:5:4:	4:3:1:	C[3x3,3x5,12x6]-5:N-3:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:C-4:	C-4:C-3:H-1:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NCH)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(CHHN)	N(CC[3x3,3x5,12x6]HH)(CNN)(H)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NCH)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(CHHN){1|B<6>,6|H<1>}	N(CC[3x3,3x5,12x6]HH)(CNN)(H)	109.4570	0.000	1	109.4570	0.000	1	109.4570	0.000	1	109.4570	0.000	1	109.6740	0.094	2	111.5210	10.281	3
490	778	956	0:SP3_SP2_SPD5	C	C[3x3,3x5,12x6]	N	5:3:1:1:	6:6:6:5:4:	4:3:1:	C[3x3,3x5,12x6]-5:N-3:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:C-4:	C-4:C-3:H-1:	C(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NCH)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(CHHN)	N(CC[3x3,3x5,12x6]HH)(CNN)(H)	C(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NCH)(H)2	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(CHHN){1|B<6>,5|H<1>}	N(CC[3x3,3x5,12x6]HH)(CNN)(H)	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	109.6740	0.094	2	111.5210	10.281	3
490	778	956	0:SP3_SP2_SPD5	C	C[3x3,4,3x5,14x6]	N	5:3:1:1:	6:6:6:6:4:	4:3:1:	C[3x3,4,3x5,14x6]-5:N-3:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:C-3:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NCH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN)	N(CC[3x3,4,3x5,14x6]HH)(CCO)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NCH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN){1|B<6>,5|C<3>,5|H<1>}	N(CC[3x3,4,3x5,14x6]HH)(CCO)(H)	115.2150	0.000	1	115.2150	0.000	1	115.2150	0.000	1	115.2150	0.000	1	115.2150	0.000	1	111.5210	10.281	3
490	778	956	0:SP3_SP3_SPD5	C	C[3x3,4,3x5,14x6]	N	5:3:1:1:	6:6:6:6:4:	4:1:1:	C[3x3,4,3x5,14x6]-5:N-3:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:H-1:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NHH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN)	N(CC[3x3,4,3x5,14x6]HH)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NHH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN){1|B<6>,1|C<4>,4|C<3>,5|H<1>}	N(CC[3x3,4,3x5,14x6]HH)(H)2	113.4100	0.000	1	117.2003	10.915	3	117.2968	7.314	4	117.2968	7.314	4	116.0644	13.079	5	116.0644	13.079	5
490	778	956	0:SP3_SP3_SPD5	C	C[3x3,4,3x5,14x6]	N	5:3:1:1:	6:6:6:6:4:	4:1:1:	C[3x3,4,3x5,14x6]-5:N-3:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:H-1:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NHH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN)	N(CC[3x3,4,3x5,14x6]HH)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NHH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN){1|B<6>,5|C<3>,5|H<1>}	N(CC[3x3,4,3x5,14x6]HH)(H)2	119.0955	0.530	2	117.2003	10.915	3	117.2968	7.314	4	117.2968	7.314	4	116.0644	13.079	5	116.0644	13.079	5
490	778	956	0:SP3_SP3_SPD5	C	C[3x3,4,3x5,14x6]	N	5:3:1:1:	6:6:6:6:4:	4:1:1:	C[3x3,4,3x5,14x6]-5:N-3:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:H-1:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NHH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN)	N(CC[3x3,4,3x5,14x6]HH)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NHH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CHHN){1|B<6>,1|C<3>,5|H<1>}	N(CC[3x3,4,3x5,14x6]HH)(H)2	117.5860	0.000	1	117.5860	0.000	1	117.2968	7.314	4	117.2968	7.314	4	116.0644	13.079	5	116.0644	13.079	5
490	778	956	0:SP3_SP3_SPD5	C	C[3x3,4,3x5,14x6]	N	5:3:3:1:	6:6:6:6:4:	4:4:4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:N-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-4:	C-4:C-4:C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(NCC)(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(CC[6a]HN)	N(CC[3x3,4,3x5,14x6]C[6a]H)(CCHH)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(NCC)(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(CC[6a]HN){1|B<6>,1|C<3>,5|H<1>}	N(CC[3x3,4,3x5,14x6]C[6a]H)(CCHH)2	111.1350	0.000	1	111.1350	0.000	1	111.1350	0.000	1	111.1350	0.000	1	116.0644	13.079	5	116.0644	13.079	5
490	781	951	0:SP3_SP-NON_SP3	C	N[6a]	H	4:1:1:1:	3:3:4:4:	4:	N[6a]-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a]C)(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CH3)2	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a]C)(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CH3)2{1|B<4>,1|H<1>,3|C<3>}	H(CN[6a]HH)	109.4592	0.038	4	109.4592	0.001	4	109.4592	0.001	4	109.4592	0.001	4	109.4803	0.002	15	109.4803	0.002	15
490	781	951	0:SP3_SP-NON_SP3	C	N[6a]	H	4:1:1:1:	4:2:4:4:	4:	N[6a]-4:H-1:H-1:H-1:	B[6,6a]-4:N[6a]-2:C-4:C-4:	C-4:	C(N[6a]B[6,6a]N[6a]C)(H)3	N[6a](B[6,6a]C[6a,6a]O[6]2)(N[6a]C[6a])(CH3)2	H(CN[6a]HH)	C(N[6a]B[6,6a]N[6a]C)(H)3	N[6a](B[6,6a]C[6a,6a]O[6]2)(N[6a]C[6a])(CH3)2{1|B<3>,1|B<4>,1|H<1>,2|C<3>}	H(CN[6a]HH)	109.4879	0.050	11	109.4879	0.003	11	109.4879	0.003	11	109.4879	0.003	11	109.4803	0.002	15	109.4803	0.002	15
490	786	813	0:SP3_SP2_SP3	C	B[5,5]	N[5a]	3:4:1:1:	4:4:2:2:	3:3:4:	N[5a]-3:B[5,5]-4:H-1:H-1:	N[5,5]-4:C-4:O[5]-2:O[5]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(B[5,5]N[5,5]O[5]2)(H)2	B[5,5](N[5,5]C[5]2C)(CN[5a]HH)(O[5]C[5])2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH)	C(N[5a]C[5a,6a]C[5a])(B[5,5]N[5,5]O[5]2)(H)2	B[5,5](N[5,5]C[5]2C)(CN[5a]HH)(O[5]C[5])2{2|O<1>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH){2|C<3>}	111.8955	3.893	2	111.8955	15.153	2	111.8955	15.153	2	111.8955	15.153	2	111.8955	15.153	2	111.8955	15.153	2
490	786	818	0:SP3_SP2_SP3	C	B[5]	C[5]	4:3:1:1:	3:3:4:1:	3:3:4:	B[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:Br-1:	N[5]-3:N[5]-3:C-4:	C(B[5]C[5,6a]2Br)(C[5]N[5]2)(H)2	B[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(Br)	C[5](N[5]C[6a]C[5])2(CB[5]HH)	C(B[5]C[5,6a]2Br)(C[5]N[5]2)(H)2	B[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(Br){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])2(CB[5]HH){2|H<1>,4|C<3>}	121.8280	0.000	1	121.8280	0.000	1	121.8280	0.000	1	121.8280	0.000	1	121.8280	0.000	1	121.8280	0.000	1
490	786	892	0:SP3_SP3_SP3	C	B[5]	N	4:4:1:1:	4:2:2:4:	4:4:4:4:	B[5]-4:N-4:H-1:H-1:	C[4]-4:O[5]-2:O[5]-2:C-4:	C-4:C-4:C-4:C-4:	C(B[5]C[4]O[5]2)(NC3)(H)2	B[5](C[4]C[4]2C)(O[5]C[5])2(CHHN)	N(CB[5]HH)(CCHH)(CH3)2	C(B[5]C[4]O[5]2)(NC3)(H)2	B[5](C[4]C[4]2C)(O[5]C[5])2(CHHN){3|H<1>,6|C<4>}	N(CB[5]HH)(CCHH)(CH3)2	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1
490	786	924	0:SP3_SP-NON_SP3	C	B[5,5]	Br	4:4:1:1:	4:2:2:4:	4:	B[5,5]-4:C-4:Br-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(Br)(H)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CBrCH)	Br(CB[5,5]CH)	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(Br)(H)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CBrCH){2|O<1>,4|H<1>}	Br(CB[5,5]CH)	108.8280	0.000	1	108.8280	0.000	1	108.8280	0.000	1	108.8280	0.000	1	108.8280	0.000	1	108.8280	0.000	1
490	786	930	0:SP3_SP2_SP3	C	B[5,5]	C	4:3:1:1:	4:2:2:4:	4:3:1:	B[5,5]-4:C-3:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:C-3:H-1:	C(B[5,5]N[5,5]O[5]2)(CCH)(H)2	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCHH)	C(CB[5,5]HH)(CHH)(H)	C(B[5,5]N[5,5]O[5]2)(CCH)(H)2	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCHH){8|H<1>}	C(CB[5,5]HH)(CHH)(H)	111.9620	0.000	1	111.9620	0.000	1	111.9620	0.000	1	111.9620	0.000	1	110.4770	4.410	2	110.4770	4.410	2
490	786	930	0:SP3_SP2_SP3	C	B[5,5]	C	4:4:3:1:	4:2:2:4:	4:2:1:	B[5,5]-4:C[6]-4:C-3:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:N-2:H-1:	C(B[5,5]N[5,5]O[5]2)(C[6]C[6]2H)(CHN)(H)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6]CH)	C(CB[5,5]C[6]H)(NO)(H)	C(B[5,5]N[5,5]O[5]2)(C[6]C[6]2H)(CHN)(H)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6]CH){2|O<1>,4|H<1>}	C(CB[5,5]C[6]H)(NO)(H)	108.9920	0.000	1	108.9920	0.000	1	108.9920	0.000	1	108.9920	0.000	1	110.4770	4.410	2	110.4770	4.410	2
490	786	944	0:SP3_SP-NON_SP3	C	B[5,5]	I	4:4:1:1:	4:2:2:4:	4:	B[5,5]-4:C-4:H-1:I-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(B[5,5]N[5,5]O[5]2)(CC[6a]FH)(H)(I)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI)	I(CB[5,5]CH)	C(B[5,5]N[5,5]O[5]2)(CC[6a]FH)(H)(I)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI){2|O<1>,4|H<1>}	I(CB[5,5]CH)	109.6465	1.372	2	109.6465	1.884	2	109.5150	0.994	3	109.5150	0.994	3	109.5150	0.994	3	109.5150	0.994	3
490	786	944	0:SP3_SP-NON_SP3	C	B[5,5]	I	4:4:1:1:	4:2:2:4:	4:	B[5,5]-4:C-4:H-1:I-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(H)(I)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI)	I(CB[5,5]CH)	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(H)(I)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI){2|O<1>,4|H<1>}	I(CB[5,5]CH)	109.2520	0.000	1	109.2520	0.000	1	109.5150	0.994	3	109.5150	0.994	3	109.5150	0.994	3	109.5150	0.994	3
490	786	951	0:SP3_SP-NON_SP3	C	B[5,5]	H	3:4:1:1:	4:4:2:2:	4:	N[5a]-3:B[5,5]-4:H-1:H-1:	N[5,5]-4:C-4:O[5]-2:O[5]-2:	C-4:	C(N[5a]C[5a,6a]C[5a])(B[5,5]N[5,5]O[5]2)(H)2	B[5,5](N[5,5]C[5]2C)(CN[5a]HH)(O[5]C[5])2	H(CB[5,5]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(B[5,5]N[5,5]O[5]2)(H)2	B[5,5](N[5,5]C[5]2C)(CN[5a]HH)(O[5]C[5])2{2|O<1>,4|H<1>}	H(CB[5,5]N[5a]H)	109.4493	0.711	3	109.4493	0.505	3	109.4493	0.505	3	109.4493	0.505	3	108.6956	0.546	14	108.9477	0.567	63
490	786	951	0:SP3_SP-NON_SP3	C	B[5,5]	H	4:3:1:1:	4:2:2:4:	4:	B[5,5]-4:C-3:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(B[5,5]N[5,5]O[5]2)(CCH)(H)2	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCHH)	H(CB[5,5]CH)	C(B[5,5]N[5,5]O[5]2)(CCH)(H)2	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCHH){8|H<1>}	H(CB[5,5]CH)	109.1945	0.012	2	109.1945	0.000	2	109.1945	0.000	2	108.9795	0.063	4	108.6956	0.546	14	108.9477	0.567	63
490	786	951	0:SP3_SP-NON_SP3	C	B[5,5]	H	4:3:1:1:	4:2:2:4:	4:	B[5,5]-4:N-3:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(B[5,5]N[5,5]O[5]2)(NCO)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CHHN)	H(CB[5,5]HN)	C(B[5,5]N[5,5]O[5]2)(NCO)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CHHN){2|O<1>,4|H<1>}	H(CB[5,5]HN)	108.7645	0.070	2	108.7645	0.005	2	108.7645	0.005	2	108.9795	0.063	4	108.6956	0.546	14	108.9477	0.567	63
490	786	951	0:SP3_SP-NON_SP3	C	B[5,5]	H	4:4:1:1:	4:2:2:4:	4:	B[5,5]-4:C-4:Br-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(Br)(H)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CBrCH)	H(CB[5,5]BrC)	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(Br)(H)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CBrCH){2|O<1>,4|H<1>}	H(CB[5,5]BrC)	107.8170	0.000	1	107.8170	0.000	1	107.8170	0.000	1	108.2772	0.408	6	108.6956	0.546	14	108.9477	0.567	63
490	786	951	0:SP3_SP-NON_SP3	C	B[5,5]	H	4:4:1:1:	4:2:2:4:	4:	B[5,5]-4:C-4:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(B[5,5]N[5,5]O[5]2)(CCHH)(H)2	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCHH)	H(CB[5,5]CH)	C(B[5,5]N[5,5]O[5]2)(CCHH)(H)2	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCHH){8|H<1>}	H(CB[5,5]CH)	108.2880	0.030	2	108.2880	0.001	2	108.2880	0.001	2	108.2772	0.408	6	108.6956	0.546	14	108.9477	0.567	63
490	786	951	0:SP3_SP-NON_SP3	C	B[5,5]	H	4:4:1:1:	4:2:2:4:	4:	B[5,5]-4:C-4:H-1:I-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(B[5,5]N[5,5]O[5]2)(CC[6a]FH)(H)(I)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI)	H(CB[5,5]CI)	C(B[5,5]N[5,5]O[5]2)(CC[6a]FH)(H)(I)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI){2|O<1>,4|H<1>}	H(CB[5,5]CI)	108.3460	1.314	2	108.3460	1.726	2	108.4233	0.881	3	108.2772	0.408	6	108.6956	0.546	14	108.9477	0.567	63
490	786	951	0:SP3_SP-NON_SP3	C	B[5,5]	H	4:4:1:1:	4:2:2:4:	4:	B[5,5]-4:C-4:H-1:I-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(H)(I)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI)	H(CB[5,5]CI)	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(H)(I)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI){2|O<1>,4|H<1>}	H(CB[5,5]CI)	108.5780	0.000	1	108.5780	0.000	1	108.4233	0.881	3	108.2772	0.408	6	108.6956	0.546	14	108.9477	0.567	63
490	786	951	0:SP3_SP-NON_SP3	C	B[5,5]	H	4:4:3:1:	4:2:2:4:	4:	B[5,5]-4:C[6]-4:C-3:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(B[5,5]N[5,5]O[5]2)(C[6]C[6]2H)(CHN)(H)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6]CH)	H(CB[5,5]C[6]C)	C(B[5,5]N[5,5]O[5]2)(C[6]C[6]2H)(CHN)(H)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6]CH){2|O<1>,4|H<1>}	H(CB[5,5]C[6]C)	107.8090	0.000	1	107.8090	0.000	1	107.8090	0.000	1	107.8090	0.000	1	108.6956	0.546	14	108.9477	0.567	63
490	786	951	0:SP3_SP-NON_SP3	C	B[5]	H	4:1:1:1:	2:2:4:2:	4:	B[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:O-2:	C-4:	C(B[5]O[5]2O)(H)3	B[5](O[5]C[5])2(CH3)(OH)	H(CB[5]HH)	C(B[5]O[5]2O)(H)3	B[5](O[5]C[5])2(CH3)(OH){1|C<3>,1|O<1>}	H(CB[5]HH)	109.4597	0.023	3	109.4597	0.001	3	109.4597	0.001	3	109.4597	0.001	3	109.0198	0.561	49	108.9477	0.567	63
490	786	951	0:SP3_SP-NON_SP3	C	B[5]	H	4:1:1:1:	3:3:3:4:	4:	B[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C[6a]-3:C-4:	C-4:	C(B[5]N[5,6]C[6a]C[5])(H)3	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CH3)	H(CB[5]HH)	C(B[5]N[5,6]C[6a]C[5])(H)3	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CH3){3|H<1>,7|C<3>}	H(CB[5]HH)	109.4735	0.030	2	109.4735	0.001	2	109.4735	0.001	2	109.4735	0.001	2	109.0198	0.561	49	108.9477	0.567	63
490	786	951	0:SP3_SP-NON_SP3	C	B[5]	H	4:1:1:1:	3:3:4:4:	4:	B[5]-4:H-1:H-1:H-1:	C[5,5a]-3:N[5,6]-3:C-4:C-4:	C-4:	C(B[5]C[5,5a]N[5,6]C)(H)3	B[5](C[5,5a]C[5a,6a]C[5,5a])(N[5,6]C[5,6]C[6])(CH3)2	H(CB[5]HH)	C(B[5]C[5,5a]N[5,6]C)(H)3	B[5](C[5,5a]C[5a,6a]C[5,5a])(N[5,6]C[5,6]C[6])(CH3)2{1|H<1>,1|S<2>,4|C<3>}	H(CB[5]HH)	109.4554	0.031	5	109.4554	0.001	5	109.4554	0.001	5	109.4727	0.001	28	109.0198	0.561	49	108.9477	0.567	63
490	786	951	0:SP3_SP-NON_SP3	C	B[5]	H	4:1:1:1:	3:3:4:4:	4:	B[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C-4:C-4:	C-4:	C(B[5]C[5,6a]N[5,5]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CH3)2	H(CB[5]HH)	C(B[5]C[5,6a]N[5,5]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CH3)2{1|H<1>,1|N<3>,4|C<3>}	H(CB[5]HH)	109.4714	0.046	9	109.4714	0.002	9	109.4714	0.002	9	109.4727	0.001	28	109.0198	0.561	49	108.9477	0.567	63
490	786	951	0:SP3_SP-NON_SP3	C	B[5]	H	4:1:1:1:	3:3:4:4:	4:	B[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C-4:C-4:	C-4:	C(B[5]C[5,6a]N[5,6]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CH3)2	H(CB[5]HH)	C(B[5]C[5,6a]N[5,6]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CH3)2{1|H<1>,5|C<3>}	H(CB[5]HH)	109.4796	0.033	14	109.4796	0.001	14	109.4796	0.001	14	109.4727	0.001	28	109.0198	0.561	49	108.9477	0.567	63
490	786	951	0:SP3_SP-NON_SP3	C	B[5]	H	4:3:1:1:	3:3:3:4:	4:	B[5]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:C-4:	C-4:	C(B[5]C[5,6a]C[5,6]N[6])(C[6]C[6]N[6])(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[6]C[6]2)(CC[6]HH)	H(CB[5]C[6]H)	C(B[5]C[5,6a]C[5,6]N[6])(C[6]C[6]N[6])(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[6]C[6]2)(CC[6]HH){1|C<4>,2|H<1>,6|C<3>}	H(CB[5]C[6]H)	108.3470	0.000	1	108.3470	0.000	1	108.3470	0.000	1	108.3060	0.003	2	109.0198	0.561	49	108.9477	0.567	63
490	786	951	0:SP3_SP-NON_SP3	C	B[5]	H	4:3:1:1:	3:3:3:4:	4:	B[5]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:N[6]-3:C-4:	C-4:	C(B[5]C[5,6a]2N[6])(C[6]C[6]N[6])(H)2	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(CC[6]HH)	H(CB[5]C[6]H)	C(B[5]C[5,6a]2N[6])(C[6]C[6]N[6])(H)2	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(CC[6]HH){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	H(CB[5]C[6]H)	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	108.3060	0.003	2	109.0198	0.561	49	108.9477	0.567	63
490	786	951	0:SP3_SP-NON_SP3	C	B[5]	H	4:3:1:1:	3:3:4:1:	4:	B[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:Br-1:	C-4:	C(B[5]C[5,6a]2Br)(C[5]N[5]2)(H)2	B[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(Br)	H(CB[5]C[5]H)	C(B[5]C[5,6a]2Br)(C[5]N[5]2)(H)2	B[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(Br){2|H<1>,4|C<3>}	H(CB[5]C[5]H)	106.8755	0.008	2	106.8755	0.000	2	106.8755	0.000	2	106.8755	0.000	2	109.0198	0.561	49	108.9477	0.567	63
490	786	951	0:SP3_SP-NON_SP3	C	B[5]	H	4:3:1:1:	4:4:3:4:	4:	B[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-4:C[6a]-3:C-4:	C-4:	C(B[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]B[5]H)	C(B[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,4|C<3>}	H(CC[6a]B[5]H)	108.9135	0.011	2	108.9135	0.000	2	108.9135	0.000	2	108.9135	0.000	2	109.0198	0.561	49	108.9477	0.567	63
490	786	951	0:SP3_SP-NON_SP3	C	B[5]	H	4:4:1:1:	3:3:4:4:	4:	B[5]-4:C-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C-4:C-4:	C-4:	C(B[5]C[5,6a]N[5,6]C)(CH3)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(CCHH)2	H(CB[5]CH)	C(B[5]C[5,6a]N[5,6]C)(CH3)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(CCHH)2{1|H<1>,1|N<3>,4|C<3>}	H(CB[5]CH)	108.4485	0.091	4	108.4485	0.008	4	108.3256	0.024	8	108.3256	0.024	8	109.0198	0.561	49	108.9477	0.567	63
490	786	951	0:SP3_SP-NON_SP3	C	B[5]	H	4:4:1:1:	3:3:4:4:	4:	B[5]-4:C-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C-4:C-4:	C-4:	C(B[5]C[5,6a]N[5,6]C)(CH3)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CCHH)2	H(CB[5]CH)	C(B[5]C[5,6a]N[5,6]C)(CH3)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CCHH)2{1|H<1>,5|C<3>}	H(CB[5]CH)	108.2027	0.088	4	108.2027	0.008	4	108.3256	0.024	8	108.3256	0.024	8	109.0198	0.561	49	108.9477	0.567	63
490	786	951	0:SP3_SP-NON_SP3	C	B[5]	H	4:4:1:1:	4:2:2:4:	4:	B[5]-4:N-4:H-1:H-1:	C[4]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]C[4]O[5]2)(NC3)(H)2	B[5](C[4]C[4]2C)(O[5]C[5])2(CHHN)	H(CB[5]HN)	C(B[5]C[4]O[5]2)(NC3)(H)2	B[5](C[4]C[4]2C)(O[5]C[5])2(CHHN){3|H<1>,6|C<4>}	H(CB[5]HN)	107.3070	0.013	2	107.3070	0.000	2	107.3070	0.000	2	107.3070	0.000	2	109.0198	0.561	49	108.9477	0.567	63
490	786	956	0:SP3_SP3_SP3	C	B[5,5]	N	4:3:1:1:	4:2:2:4:	4:3:2:	B[5,5]-4:N-3:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:C-3:O-2:	C(B[5,5]N[5,5]O[5]2)(NCO)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CHHN)	N(CB[5,5]HH)(COO)(OC)	C(B[5,5]N[5,5]O[5]2)(NCO)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CHHN){2|O<1>,4|H<1>}	N(CB[5,5]HH)(COO)(OC)	113.9740	0.000	1	113.9740	0.000	1	113.9740	0.000	1	113.9740	0.000	1	113.9740	0.000	1	113.9740	0.000	1
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	1:1:1:1:	4:	4:	Cl-1:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(Cl)4	Cl(CCl3)	Cl(CCl3)	C(Cl)4	Cl(CCl3)	Cl(CCl3)	107.8802	12.653	125	107.8802	160.101	125	107.8802	160.101	125	111.1676	8.354	15690	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	1:1:1:1:	4:	4:	Cl-1:Cl-1:Cl-1:D-1:	C-4:	C-4:	C(Cl)3(D)	Cl(CCl2D)	Cl(CCl2D)	C(Cl)3(D)	Cl(CCl2D)	Cl(CCl2D)	110.3072	1.677	116	110.3072	2.814	116	110.3072	2.814	116	111.1676	8.354	15690	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	1:1:1:1:	4:	4:	Cl-1:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(Cl)3(H)	Cl(CCl2H)	Cl(CCl2H)	C(Cl)3(H)	Cl(CCl2H)	Cl(CCl2H)	110.4370	1.930	9009	110.4370	3.726	9009	110.4370	3.726	9009	111.1676	8.354	15690	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	1:1:1:1:	4:	4:	Cl-1:Cl-1:D-1:D-1:	C-4:	C-4:	C(Cl)2(D)2	Cl(CClDD)	Cl(CClDD)	C(Cl)2(D)2	Cl(CClDD)	Cl(CClDD)	112.5415	2.202	4	112.5415	4.848	4	112.5415	4.848	4	111.1676	8.354	15690	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	1:1:1:1:	4:	4:	Cl-1:Cl-1:H-1:H-1:	C-4:	C-4:	C(Cl)2(H)2	Cl(CClHH)	Cl(CClHH)	C(Cl)2(H)2	Cl(CClHH)	Cl(CClHH)	112.2689	3.135	6436	112.2689	9.831	6436	112.2689	9.831	6436	111.1676	8.354	15690	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	2:1:1:1:	4:	4:	C-2:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CN)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CN)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	109.3167	0.339	3	109.3167	0.115	3	109.3167	0.115	3	108.8138	6.558	27	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	2:1:1:1:	4:	4:	Cl-2:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(ClC)(Cl)2(H)	Cl(CCl2H)	Cl(CCl2H)	C(ClC)(Cl)2(H)	Cl(CCl2H)	Cl(CCl2H)	98.5563	0.000	1	98.5563	0.000	1	100.6762	8.988	2	108.8138	6.558	27	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	2:1:1:1:	4:	4:	Cl-2:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(ClH)(Cl)2(H)	Cl(CCl2H)	Cl(CCl2H)	C(ClH)(Cl)2(H)	Cl(CCl2H)	Cl(CCl2H)	102.7960	0.000	1	102.7960	0.000	1	100.6762	8.988	2	108.8138	6.558	27	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	2:1:1:1:	4:	4:	O-2:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(OC)(Cl)3	Cl(CCl2O)	Cl(CCl2O)	C(OC)(Cl)3	Cl(CCl2O)	Cl(CCl2O)	110.1360	0.892	3	110.1360	0.795	3	110.1360	0.795	3	108.8138	6.558	27	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	2:1:1:1:	4:	4:	S-2:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(SC[5a])(Cl)3	Cl(CCl2S)	Cl(CCl2S)	C(SC[5a])(Cl)3	Cl(CCl2S)	Cl(CCl2S)	109.1920	1.310	3	109.1920	1.715	3	109.2923	0.726	18	108.8138	6.558	27	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	2:1:1:1:	4:	4:	S-2:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(SS)(Cl)3	Cl(CCl2S)	Cl(CCl2S)	C(SS)(Cl)3	Cl(CCl2S)	Cl(CCl2S)	109.3124	0.796	15	109.3124	0.634	15	109.2923	0.726	18	108.8138	6.558	27	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	2:1:1:1:	4:	4:	S-2:Cl-1:Cl-1:F-1:	C-4:	C-4:	C(SC)(Cl)2(F)	Cl(CClFS)	Cl(CClFS)	C(SC)(Cl)2(F)	Cl(CClFS)	Cl(CClFS)	111.0010	0.000	1	111.0010	0.000	1	111.0010	0.000	1	108.8138	6.558	27	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	2:2:1:1:	4:	4:	O-2:O-2:Cl-1:Cl-1:	C-4:	C-4:	C(OC[6a])2(Cl)2	Cl(CClOO)	Cl(CClOO)	C(OC[6a])2(Cl)2	Cl(CClOO)	Cl(CClOO)	105.2930	0.000	1	105.2930	0.000	1	105.2930	0.000	1	105.2930	0.000	1	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CCH)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CCH)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	108.2925	2.876	2	108.2925	8.270	2	108.8907	0.889	464	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CCO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CCO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	109.0887	1.186	15	109.0887	1.407	15	108.8907	0.889	464	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CC[5]O)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CC[5]O)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	108.2703	1.034	3	108.2703	1.069	3	108.8907	0.889	464	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CC[5a]O)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CC[5a]O)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	109.0093	0.818	17	109.0093	0.670	17	108.8907	0.889	464	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CNN)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CNN)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	108.5328	0.798	36	108.5328	0.636	36	108.8907	0.889	464	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CNO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CNO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	109.0884	0.769	115	109.0884	0.591	115	108.8907	0.889	464	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CN[5]O)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CN[5]O)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	108.8892	0.940	6	108.8892	0.884	6	108.8907	0.889	464	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(COO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(COO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	108.8471	0.992	270	108.8471	0.983	270	108.8907	0.889	464	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CCN)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(CCN)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	109.0240	0.000	1	109.0240	0.000	1	110.2205	0.539	65	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CCO)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(CCO)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	110.0790	0.000	1	110.0790	0.000	1	110.2205	0.539	65	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CC[5a]O)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(CC[5a]O)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	109.5405	0.069	2	109.5405	0.005	2	110.2205	0.539	65	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]O)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(CC[6a]O)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	110.8350	0.000	1	110.8350	0.000	1	110.2205	0.539	65	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CNO)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(CNO)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	110.4760	0.563	17	110.4760	0.317	17	110.2205	0.539	65	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CN[5]O)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(CN[5]O)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	110.2570	1.290	2	110.2570	1.663	2	110.2205	0.539	65	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CN[6]O)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(CN[6]O)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	110.3573	0.729	12	110.3573	0.531	12	110.2205	0.539	65	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(COO)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(COO)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	110.0835	0.786	29	110.0835	0.618	29	110.2205	0.539	65	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[5]N[5]O[5])(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	C(C[5]N[5]O[5])(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	109.0298	0.929	29	109.0298	0.862	29	109.0298	0.862	29	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(Cl)3	Cl(CC[5a]Cl2)	Cl(CC[5a]Cl2)	C(C[5a]N[5a]S[5a])(Cl)3	Cl(CC[5a]Cl2)	Cl(CC[5a]Cl2)	109.1110	0.253	3	109.1110	0.064	3	109.1110	0.064	3	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(Cl)2(H)	Cl(CC[5a]ClH)	Cl(CC[5a]ClH)	C(C[5a]N[5a]S[5a])(Cl)2(H)	Cl(CC[5a]ClH)	Cl(CC[5a]ClH)	110.5240	0.000	1	110.5240	0.000	1	110.5240	0.000	1	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C[6]-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[6]N[6]O[6])(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	C(C[6]N[6]O[6])(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	108.8173	0.324	9	108.8173	0.105	9	108.8173	0.105	9	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[6a]C[6a]2)(Cl)3	Cl(CC[6a]Cl2)	Cl(CC[6a]Cl2)	C(C[6a]C[6a]2)(Cl)3	Cl(CC[6a]Cl2)	Cl(CC[6a]Cl2)	108.0175	1.665	2	108.0175	2.773	2	108.4033	0.867	53	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(Cl)3	Cl(CC[6a]Cl2)	Cl(CC[6a]Cl2)	C(C[6a]C[6a]N[6a])(Cl)3	Cl(CC[6a]Cl2)	Cl(CC[6a]Cl2)	108.3207	0.458	27	108.3207	0.210	27	108.4033	0.867	53	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(Cl)3	Cl(CC[6a]Cl2)	Cl(CC[6a]Cl2)	C(C[6a]N[5a,6a]C[6a])(Cl)3	Cl(CC[6a]Cl2)	Cl(CC[6a]Cl2)	108.2188	1.186	15	108.2188	1.407	15	108.4033	0.867	53	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[6a]N[6a]2)(Cl)3	Cl(CC[6a]Cl2)	Cl(CC[6a]Cl2)	C(C[6a]N[6a]2)(Cl)3	Cl(CC[6a]Cl2)	Cl(CC[6a]Cl2)	109.0443	1.248	9	109.0443	1.557	9	108.4033	0.867	53	108.9969	1.028	624	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:2:1:1:	4:	4:	C[6a]-3:O-2:Cl-1:Cl-1:	C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(Cl)2	Cl(CC[6a]ClO)	Cl(CC[6a]ClO)	C(C[6a]C[6a]2)(OC[6a])(Cl)2	Cl(CC[6a]ClO)	Cl(CC[6a]ClO)	106.6823	0.127	3	106.6823	0.016	3	106.6823	0.016	3	106.6823	0.016	3	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:3:1:1:	4:	4:	C-3:C-3:Cl-1:Cl-1:	C-4:	C-4:	C(CC[5a]O)(CC[6a]O)(Cl)2	Cl(CClCC)	Cl(CClCC)	C(CC[5a]O)(CC[6a]O)(Cl)2	Cl(CClCC)	Cl(CClCC)	108.1680	0.000	1	108.1680	0.000	1	109.0253	1.551	3	106.8717	4.582	7	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:3:1:1:	4:	4:	C-3:C-3:Cl-1:Cl-1:	C-4:	C-4:	C(CNO)2(Cl)2	Cl(CClCC)	Cl(CClCC)	C(CNO)2(Cl)2	Cl(CClCC)	Cl(CClCC)	110.4540	0.000	1	110.4540	0.000	1	109.0253	1.551	3	106.8717	4.582	7	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:3:1:1:	4:	4:	C-3:C-3:Cl-1:Cl-1:	C-4:	C-4:	C(CN[6]O)(CCO)(Cl)2	Cl(CClCC)	Cl(CClCC)	C(CN[6]O)(CCO)(Cl)2	Cl(CClCC)	Cl(CClCC)	108.4540	0.000	1	108.4540	0.000	1	109.0253	1.551	3	106.8717	4.582	7	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C-4:	C-4:	C(C[6a]C[6a]2)2(Cl)2	Cl(CC[6a]2Cl)	Cl(CC[6a]2Cl)	C(C[6a]C[6a]2)2(Cl)2	Cl(CC[6a]2Cl)	Cl(CC[6a]2Cl)	105.2565	0.118	4	105.2565	0.014	4	105.2565	0.014	4	106.8717	4.582	7	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:4:1:1:	4:	4:	C-3:C-4:Cl-1:Cl-1:	C-4:	C-4:	C(CC[5a]O)(CCCO)(Cl)2	Cl(CClCC)	Cl(CClCC)	C(CC[5a]O)(CCCO)(Cl)2	Cl(CClCC)	Cl(CClCC)	107.8470	0.000	1	107.8470	0.000	1	107.9585	0.025	2	107.3123	1.265	3	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:4:1:1:	4:	4:	C-3:C-4:Cl-1:Cl-1:	C-4:	C-4:	C(CC[6a]O)(CCHH)(Cl)2	Cl(CClCC)	Cl(CClCC)	C(CC[6a]O)(CCHH)(Cl)2	Cl(CClCC)	Cl(CClCC)	108.0700	0.000	1	108.0700	0.000	1	107.9585	0.025	2	107.3123	1.265	3	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	3:4:1:1:	4:	4:	C[6a]-3:C-4:Cl-1:Cl-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]Cl2)(Cl)2	Cl(CC[6a]ClC)	Cl(CC[6a]ClC)	C(C[6a]C[6a]2)(CC[6a]Cl2)(Cl)2	Cl(CC[6a]ClC)	Cl(CC[6a]ClC)	106.0200	0.000	1	106.0200	0.000	1	106.0200	0.000	1	107.3123	1.265	3	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CCCH)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CCCH)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	107.5737	0.722	15	107.5737	0.521	15	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CCCO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CCCO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	108.0253	0.880	24	108.0253	0.774	24	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CCHH)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CCHH)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	107.9515	0.626	17	107.9515	0.392	17	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CCHO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CCHO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	108.4775	0.823	24	108.4775	0.677	24	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CC[3,6]HH)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CC[3,6]HH)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	107.6610	1.422	3	107.6610	2.023	3	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CC[5]CH)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CC[5]CH)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	107.5523	0.361	3	107.5523	0.131	3	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CC[5a]C[6a]H)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CC[5a]C[6a]H)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	108.0173	0.632	6	108.0173	0.400	6	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CC[6]HH)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CC[6]HH)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	107.5928	0.757	6	107.5928	0.573	6	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CC[6a]2H)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CC[6a]2H)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	107.7884	0.706	36	107.7884	0.499	36	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CC[6a]CH)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CC[6a]CH)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	107.8472	0.838	9	107.8472	0.703	9	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CC[6a]CO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CC[6a]CO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	107.8770	0.589	6	107.8770	0.347	6	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CC[6a]HN)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CC[6a]HN)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	108.4902	0.604	6	108.4902	0.365	6	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CC[6a]HO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CC[6a]HO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	108.7713	0.516	6	108.7713	0.266	6	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CCl2H)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CCl2H)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	110.3306	2.709	14	110.3306	7.338	14	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CCl3)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CCl3)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	109.7186	0.431	23	109.7186	0.186	23	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CClHH)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CClHH)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	109.4811	0.728	9	109.4811	0.530	9	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CH3)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CH3)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	108.3140	0.903	13	108.3140	0.815	13	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CHHO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CHHO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	109.2915	0.759	152	109.2915	0.576	152	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CHNN)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CHNN)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	108.4527	0.471	12	108.4527	0.222	12	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CHNO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CHNO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	109.2037	0.443	6	109.2037	0.196	6	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CHNP)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CHNP)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	108.5333	0.507	3	108.5333	0.257	3	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CHOO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CHOO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	108.9079	0.862	15	108.9079	0.743	15	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(CSbNO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	C(CSbNO)(Cl)3	Cl(CCl2C)	Cl(CCl2C)	108.3693	0.438	3	108.3693	0.192	3	108.7612	1.272	411	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CCCO)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(CCCO)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	109.2570	0.000	1	109.2570	0.000	1	110.2247	4.107	82	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CCHH)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(CCHH)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	109.1845	0.387	2	109.1845	0.150	2	110.2247	4.107	82	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CCHO)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(CCHO)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	110.4000	0.000	1	110.4000	0.000	1	110.2247	4.107	82	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(CC[6a]2H)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	108.8920	0.000	1	108.8920	0.000	1	110.2247	4.107	82	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(CC[6a]CH)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	108.4463	0.523	4	108.4463	0.273	4	110.2247	4.107	82	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(CC[6a]CO)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	108.8930	0.000	1	108.8930	0.000	1	110.2247	4.107	82	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CCl2H)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(CCl2H)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	110.7704	1.943	53	110.7704	3.776	53	110.2247	4.107	82	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CCl2S)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(CCl2S)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	108.5280	0.000	1	108.5280	0.000	1	110.2247	4.107	82	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CCl3)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(CCl3)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	110.4660	3.450	5	110.4660	11.900	5	110.2247	4.107	82	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CClHH)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(CClHH)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	109.3446	1.824	9	109.3446	3.328	9	110.2247	4.107	82	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CH3)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(CH3)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	108.3685	0.026	2	108.3685	0.001	2	110.2247	4.107	82	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CHNN)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	C(CHNN)(Cl)2(H)	Cl(CClCH)	Cl(CClCH)	108.1500	0.554	2	108.1500	0.307	2	110.2247	4.107	82	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[3,5]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5,6]C[5]O[3])(Cl)2(H)	Cl(CC[3,5]ClH)	Cl(CC[3,5]ClH)	C(C[3,5]C[3,5,6]C[5]O[3])(Cl)2(H)	Cl(CC[3,5]ClH)	Cl(CC[3,5]ClH)	110.2570	0.000	1	110.2570	0.000	1	110.2570	0.000	1	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[4]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[4]C[4]N[4]H)(Cl)3	Cl(CC[4]Cl2)	Cl(CC[4]Cl2)	C(C[4]C[4]N[4]H)(Cl)3	Cl(CC[4]Cl2)	Cl(CC[4]Cl2)	108.7963	1.660	3	108.7963	2.757	3	108.7963	2.757	3	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5,5,6]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(Cl)2(H)	Cl(CC[5,5,6]ClH)	Cl(CC[5,5,6]ClH)	C(C[5,5,6]C[5,5]C[5,6]2)(Cl)2(H)	Cl(CC[5,5,6]ClH)	Cl(CC[5,5,6]ClH)	108.7760	0.590	3	108.7760	0.348	3	108.7760	0.348	3	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5,5]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(Cl)2(H)	Cl(CC[5,5]ClH)	Cl(CC[5,5]ClH)	C(C[5,5]C[5,5,6]2C)(Cl)2(H)	Cl(CC[5,5]ClH)	Cl(CC[5,5]ClH)	107.5753	0.547	3	107.5753	0.300	3	107.5753	0.300	3	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5,6]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C[6])(Cl)2(H)	Cl(CC[5,6]ClH)	Cl(CC[5,6]ClH)	C(C[5,6]C[5,5,6]C[5,6]C[6])(Cl)2(H)	Cl(CC[5,6]ClH)	Cl(CC[5,6]ClH)	108.1560	0.281	2	108.1560	0.079	2	107.6747	0.735	3	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5,6]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(Cl)2(H)	Cl(CC[5,6]ClH)	Cl(CC[5,6]ClH)	C(C[5,6]C[5,6]2C[6])(Cl)2(H)	Cl(CC[5,6]ClH)	Cl(CC[5,6]ClH)	106.7120	0.000	1	106.7120	0.000	1	107.6747	0.735	3	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[5]C[3,5]O[5]H)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	C(C[5]C[3,5]O[5]H)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	109.1247	0.084	3	109.1247	0.007	3	108.6890	0.913	51	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]O)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	C(C[5]C[5,5]C[5]O)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	107.9457	0.977	3	107.9457	0.955	3	108.6890	0.913	51	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[5]C[5,5a]C[5]O)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	C(C[5]C[5,5a]C[5]O)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	108.5060	1.107	3	108.5060	1.225	3	108.6890	0.913	51	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[5]C[5,6a]O[5]H)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	C(C[5]C[5,6a]O[5]H)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	108.8778	0.622	6	108.8778	0.387	6	108.6890	0.913	51	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	C(C[5]C[5]N[5]H)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	108.7470	0.121	3	108.7470	0.015	3	108.6890	0.913	51	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	C(C[5]C[5]O[5]H)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	108.8583	1.281	3	108.8583	1.641	3	108.6890	0.913	51	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[5]C[5a]N[5]O[5])(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	C(C[5]C[5a]N[5]O[5])(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	107.7940	1.031	6	107.7940	1.064	6	108.6890	0.913	51	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[5]N[5,5]O[5]H)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	C(C[5]N[5,5]O[5]H)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	109.6493	0.623	3	109.6493	0.388	3	108.6890	0.913	51	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[5]N[5]O[5]C)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	C(C[5]N[5]O[5]C)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	107.2823	1.265	3	107.2823	1.600	3	108.6890	0.913	51	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[5]N[5]S[5]H)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	C(C[5]N[5]S[5]H)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	108.6055	0.562	6	108.6055	0.315	6	108.6890	0.913	51	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[5]O[5]2H)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	C(C[5]O[5]2H)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	109.4324	0.682	9	109.4324	0.465	9	108.6890	0.913	51	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[5]O[5]2N)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	C(C[5]O[5]2N)(Cl)3	Cl(CC[5]Cl2)	Cl(CC[5]Cl2)	108.7483	0.351	3	108.7483	0.123	3	108.6890	0.913	51	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2O)(Cl)2(H)	Cl(CC[5]ClH)	Cl(CC[5]ClH)	C(C[5]C[5,6a]2O)(Cl)2(H)	Cl(CC[5]ClH)	Cl(CC[5]ClH)	109.4267	0.278	3	109.4267	0.077	3	109.0497	0.558	7	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(Cl)2(H)	Cl(CC[5]ClH)	Cl(CC[5]ClH)	C(C[5]C[5,6a]C[5]O)(Cl)2(H)	Cl(CC[5]ClH)	Cl(CC[5]ClH)	109.0890	0.000	1	109.0890	0.000	1	109.0497	0.558	7	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(Cl)2(H)	Cl(CC[5]ClH)	Cl(CC[5]ClH)	C(C[5]C[5]2H)(Cl)2(H)	Cl(CC[5]ClH)	Cl(CC[5]ClH)	107.4600	0.000	1	107.4600	0.000	1	109.0497	0.558	7	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(Cl)2(H)	Cl(CC[5]ClH)	Cl(CC[5]ClH)	C(C[5]C[5]O[5]C)(Cl)2(H)	Cl(CC[5]ClH)	Cl(CC[5]ClH)	109.2595	0.388	2	109.2595	0.151	2	109.0497	0.558	7	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[6]C[5a,6]N[6]H)(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	C(C[6]C[5a,6]N[6]H)(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	108.2807	0.368	6	108.2807	0.135	6	108.4926	0.915	45	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	C(C[6]C[6,6a]N[6]H)(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	107.1617	0.477	3	107.1617	0.227	3	108.4926	0.915	45	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[6]C[6,6a]O[6]H)(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	C(C[6]C[6,6a]O[6]H)(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	108.8523	0.867	3	108.8523	0.751	3	108.4926	0.915	45	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[6]C[6]2H)(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	C(C[6]C[6]2H)(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	107.6747	0.359	3	107.6747	0.129	3	108.4926	0.915	45	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[6]C[6]2O)(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	C(C[6]C[6]2O)(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	107.3137	0.868	3	107.3137	0.753	3	108.4926	0.915	45	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	C(C[6]C[6]N[6]H)(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	108.2648	0.823	9	108.2648	0.677	9	108.4926	0.915	45	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	C(C[6]C[6]O[6]H)(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	108.8348	0.687	9	108.8348	0.472	9	108.4926	0.915	45	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[6]N[3,6]O[6]C)(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	C(C[6]N[3,6]O[6]C)(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	109.3850	0.778	6	109.3850	0.605	6	108.4926	0.915	45	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(C[6]O[6]2H)(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	C(C[6]O[6]2H)(Cl)3	Cl(CC[6]Cl2)	Cl(CC[6]Cl2)	109.7563	0.459	3	109.7563	0.211	3	108.4926	0.915	45	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[6]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]O)(Cl)2(H)	Cl(CC[6]ClH)	Cl(CC[6]ClH)	C(C[6]C[6,6]C[6]O)(Cl)2(H)	Cl(CC[6]ClH)	Cl(CC[6]ClH)	109.5180	0.000	1	109.5180	0.000	1	108.9796	4.015	5	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[6]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(Cl)2(H)	Cl(CC[6]ClH)	Cl(CC[6]ClH)	C(C[6]C[6]2C)(Cl)2(H)	Cl(CC[6]ClH)	Cl(CC[6]ClH)	107.1045	0.856	2	107.1045	0.733	2	108.9796	4.015	5	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[6]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(Cl)2(H)	Cl(CC[6]ClH)	Cl(CC[6]ClH)	C(C[6]C[6]O[6]C)(Cl)2(H)	Cl(CC[6]ClH)	Cl(CC[6]ClH)	109.3920	0.000	1	109.3920	0.000	1	108.9796	4.015	5	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	C[6]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[6]N[6]2H)(Cl)2(H)	Cl(CC[6]ClH)	Cl(CC[6]ClH)	C(C[6]N[6]2H)(Cl)2(H)	Cl(CC[6]ClH)	Cl(CC[6]ClH)	111.7790	0.000	1	111.7790	0.000	1	108.9796	4.015	5	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	P-4:Cl-1:Cl-1:Cl-1:	C-4:	C-4:	C(PO3)(Cl)3	Cl(CCl2P)	Cl(CCl2P)	C(PO3)(Cl)3	Cl(CCl2P)	Cl(CCl2P)	108.6975	0.612	21	108.6975	0.375	21	108.6975	0.375	21	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:1:1:1:	4:	4:	S-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(Cl)2(H)	Cl(CClHS)	Cl(CClHS)	C(SC[6a]OO)(Cl)2(H)	Cl(CClHS)	Cl(CClHS)	111.7738	0.490	4	111.7738	0.240	4	111.7738	0.240	4	108.9379	1.853	639	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:2:1:1:	4:	4:	C-4:N-2:Cl-1:Cl-1:	C-4:	C-4:	C(CCl2N)(NN)(Cl)2	Cl(CClCN)	Cl(CClCN)	C(CCl2N)(NN)(Cl)2	Cl(CClCN)	Cl(CClCN)	110.8040	0.000	1	110.8040	0.000	1	110.8040	0.000	1	110.3250	0.459	2	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:2:1:1:	4:	4:	C-4:S-2:Cl-1:Cl-1:	C-4:	C-4:	C(CCl2H)(SN[5])(Cl)2	Cl(CClCS)	Cl(CClCS)	C(CCl2H)(SN[5])(Cl)2	Cl(CClCS)	Cl(CClCS)	109.8460	0.000	1	109.8460	0.000	1	109.8460	0.000	1	110.3250	0.459	2	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:Cl-1:	C-4:	C-4:	C(CC[6a]HN)(CC[6a]O)(Cl)2	Cl(CClCC)	Cl(CClCC)	C(CC[6a]HN)(CC[6a]O)(Cl)2	Cl(CClCC)	Cl(CClCC)	110.8380	0.000	1	110.8380	0.000	1	108.1952	3.275	11	108.8284	3.709	17	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:Cl-1:	C-4:	C-4:	C(CC[6a]HO)(CC[5a]O)(Cl)2	Cl(CClCC)	Cl(CClCC)	C(CC[6a]HO)(CC[5a]O)(Cl)2	Cl(CClCC)	Cl(CClCC)	108.2584	1.085	5	108.2584	1.177	5	108.1952	3.275	11	108.8284	3.709	17	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:Cl-1:	C-4:	C-4:	C(CC[6a]HO)(CC[6a]O)(Cl)2	Cl(CClCC)	Cl(CClCC)	C(CC[6a]HO)(CC[6a]O)(Cl)2	Cl(CClCC)	Cl(CClCC)	109.2020	0.250	3	109.2020	0.063	3	108.1952	3.275	11	108.8284	3.709	17	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:Cl-1:	C-4:	C-4:	C(CCl2C)(CClC)(Cl)2	Cl(CClCC)	Cl(CClCC)	C(CCl2C)(CClC)(Cl)2	Cl(CClCC)	Cl(CClCC)	105.2055	0.013	2	105.2055	0.000	2	108.1952	3.275	11	108.8284	3.709	17	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:3:1:1:	4:	4:	C-4:N-3:Cl-1:Cl-1:	C-4:	C-4:	C(CC[6a]HN)(NOO)(Cl)2	Cl(CClCN)	Cl(CClCN)	C(CC[6a]HN)(NOO)(Cl)2	Cl(CClCN)	Cl(CClCN)	109.7720	0.000	1	109.7720	0.000	1	111.2093	1.579	3	108.8284	3.709	17	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:3:1:1:	4:	4:	C-4:N-3:Cl-1:Cl-1:	C-4:	C-4:	C(CC[6a]HO)(NOO)(Cl)2	Cl(CClCN)	Cl(CClCN)	C(CC[6a]HO)(NOO)(Cl)2	Cl(CClCN)	Cl(CClCN)	111.9280	0.242	2	111.9280	0.058	2	111.2093	1.579	3	108.8284	3.709	17	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:3:1:1:	4:	4:	C[6]-4:C-3:Cl-1:Cl-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(COS)(Cl)2	Cl(CC[6]ClC)	Cl(CC[6]ClC)	C(C[6]C[6,6a]C[6]H)(COS)(Cl)2	Cl(CC[6]ClC)	Cl(CC[6]ClC)	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	108.8284	3.709	17	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:3:1:1:	4:	4:	S-4:C-3:Cl-1:Cl-1:	C-4:	C-4:	C(SC[6a]OO)(CCH)(Cl)2	Cl(CClCS)	Cl(CClCS)	C(SC[6a]OO)(CCH)(Cl)2	Cl(CClCS)	Cl(CClCS)	109.3425	0.179	2	109.3425	0.032	2	109.3425	0.032	2	108.8284	3.709	17	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:Cl-1:	C-4:	C-4:	C(CCCH)(CCHO)(Cl)2	Cl(CClCC)	Cl(CClCC)	C(CCCH)(CCHO)(Cl)2	Cl(CClCC)	Cl(CClCC)	108.0510	0.000	1	108.0510	0.000	1	108.1143	0.017	3	108.1382	0.510	6	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:Cl-1:	C-4:	C-4:	C(CC[6a]HO)2(Cl)2	Cl(CClCC)	Cl(CClCC)	C(CC[6a]HO)2(Cl)2	Cl(CClCC)	Cl(CClCC)	108.1460	0.165	2	108.1460	0.027	2	108.1143	0.017	3	108.1382	0.510	6	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:4:1:1:	4:	4:	C-4:S-4:Cl-1:Cl-1:	C-4:	C-4:	C(CC[6a]HN)(SC[6a]OO)(Cl)2	Cl(CClCS)	Cl(CClCS)	C(CC[6a]HN)(SC[6a]OO)(Cl)2	Cl(CClCS)	Cl(CClCS)	109.4470	0.000	1	109.4470	0.000	1	109.4470	0.000	1	108.1382	0.510	6	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:4:1:1:	4:	4:	C[3x4]-4:C-4:Cl-1:Cl-1:	C-4:	C-4:	C(C[3x4]C[4,4]3)(CH3)(Cl)2	Cl(CC[3x4]ClC)	Cl(CC[3x4]ClC)	C(C[3x4]C[4,4]3)(CH3)(Cl)2	Cl(CC[3x4]ClC)	Cl(CC[3x4]ClC)	107.6550	0.000	1	107.6550	0.000	1	107.6550	0.000	1	108.1382	0.510	6	110.9935	8.187	17019	110.9935	8.187	17019
490	790	790	0:SP3_SP-NON_SP-NON	C	Cl	Cl	4:4:1:1:	4:	4:	P-4:P-4:Cl-1:Cl-1:	C-4:	C-4:	C(PO3)2(Cl)2	Cl(CClPP)	Cl(CClPP)	C(PO3)2(Cl)2	Cl(CClPP)	Cl(CClPP)	107.3840	0.000	1	107.3840	0.000	1	107.3840	0.000	1	108.1382	0.510	6	110.9935	8.187	17019	110.9935	8.187	17019
490	790	813	0:SP3_SP-NON_SP2	C	Cl	N[5a]	3:1:1:1:	4:	3:2:4:	N[5a]-3:Cl-1:H-1:H-1:	C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(Cl)(H)2	Cl(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH)	C(N[5a]C[5a,6a]N[5a])(Cl)(H)2	Cl(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH){1|H<1>,2|C<3>}	111.2320	0.000	1	111.2320	0.000	1	111.2320	0.000	1	111.2320	0.000	1	111.2320	0.000	1	111.2320	0.000	1
490	790	818	0:SP3_SP-NON_SP2	C	Cl	C[5,6]	3:1:1:1:	4:	4:3:4:	C[5,6]-3:Cl-1:H-1:H-1:	C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C(C[5,6]C[5,5,6]C[5,6])(Cl)(H)2	Cl(CC[5,6]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]C)(CClHH)	C(C[5,6]C[5,5,6]C[5,6])(Cl)(H)2	Cl(CC[5,6]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]C)(CClHH){4|Cl<1>,1|C<3>}	110.0890	0.132	2	110.0890	0.017	2	110.0890	0.017	2	110.0890	0.017	2	110.0890	0.017	2	110.1810	1.547	46
490	790	818	0:SP3_SP-NON_SP2	C	Cl	C[5]	3:1:1:1:	4:	2:2:4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C-4:	N[5]-2:O[5]-2:C-4:	C(C[5]N[5]O[5])(Cl)3	Cl(CC[5]Cl2)	C[5](N[5]C[5,5])(O[5]C[5,5])(CCl3)	C(C[5]N[5]O[5])(Cl)3	Cl(CC[5]Cl2)	C[5](N[5]C[5,5])(O[5]C[5,5])(CCl3){1|C<3>,1|H<1>,2|C<4>}	109.8003	1.370	3	109.8003	1.876	3	109.9132	1.833	30	109.9132	1.833	30	110.1852	1.619	44	110.1810	1.547	46
490	790	818	0:SP3_SP-NON_SP2	C	Cl	C[5]	3:1:1:1:	4:	2:2:4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C-4:	N[5]-2:O[5]-2:C-4:	C(C[5]N[5]O[5])(Cl)3	Cl(CC[5]Cl2)	C[5](N[5]C[5,6,6])(O[5]C[5,6,6])(CCl3)	C(C[5]N[5]O[5])(Cl)3	Cl(CC[5]Cl2)	C[5](N[5]C[5,6,6])(O[5]C[5,6,6])(CCl3){1|O<2>,3|C<4>}	109.3903	1.187	3	109.3903	1.410	3	109.9132	1.833	30	109.9132	1.833	30	110.1852	1.619	44	110.1810	1.547	46
490	790	818	0:SP3_SP-NON_SP2	C	Cl	C[5]	3:1:1:1:	4:	2:2:4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C-4:	N[5]-2:O[5]-2:C-4:	C(C[5]N[5]O[5])(Cl)3	Cl(CC[5]Cl2)	C[5](N[5]C[5,6])(O[5]C[5,6])(CCl3)	C(C[5]N[5]O[5])(Cl)3	Cl(CC[5]Cl2)	C[5](N[5]C[5,6])(O[5]C[5,6])(CCl3){1|C<3>,3|C<4>}	109.5587	2.079	3	109.5207	3.628	6	109.9132	1.833	30	109.9132	1.833	30	110.1852	1.619	44	110.1810	1.547	46
490	790	818	0:SP3_SP-NON_SP2	C	Cl	C[5]	3:1:1:1:	4:	2:2:4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C-4:	N[5]-2:O[5]-2:C-4:	C(C[5]N[5]O[5])(Cl)3	Cl(CC[5]Cl2)	C[5](N[5]C[5,6])(O[5]C[5,6])(CCl3)	C(C[5]N[5]O[5])(Cl)3	Cl(CC[5]Cl2)	C[5](N[5]C[5,6])(O[5]C[5,6])(CCl3){1|C<4>,1|O<2>,2|C<3>}	109.4827	2.178	3	109.5207	3.628	6	109.9132	1.833	30	109.9132	1.833	30	110.1852	1.619	44	110.1810	1.547	46
490	790	818	0:SP3_SP-NON_SP2	C	Cl	C[5]	3:1:1:1:	4:	2:2:4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C-4:	N[5]-2:O[5]-2:C-4:	C(C[5]N[5]O[5])(Cl)3	Cl(CC[5]Cl2)	C[5](N[5]C[5])(O[5]C[5])(CCl3)	C(C[5]N[5]O[5])(Cl)3	Cl(CC[5]Cl2)	C[5](N[5]C[5])(O[5]C[5])(CCl3){2|C<4>,2|H<1>}	110.1499	1.228	18	110.1499	1.508	18	109.9132	1.833	30	109.9132	1.833	30	110.1852	1.619	44	110.1810	1.547	46
490	790	818	0:SP3_SP-NON_SP2	C	Cl	C[5]	3:1:1:1:	4:	3:2:4:	C[5]-3:Cl-1:H-1:H-1:	C-4:	C[5]-3:N[5]-2:C-4:	C(C[5]C[5]N[5])(Cl)(H)2	Cl(CC[5]HH)	C[5](C[5]Se[5]Cl)(N[5]C[5])(CClHH)	C(C[5]C[5]N[5])(Cl)(H)2	Cl(CC[5]HH)	C[5](C[5]Se[5]Cl)(N[5]C[5])(CClHH){1|C<3>}	111.8980	0.072	2	111.8980	0.005	2	111.8980	0.005	2	111.1614	1.052	5	110.1852	1.619	44	110.1810	1.547	46
490	790	818	0:SP3_SP-NON_SP2	C	Cl	C[5]	3:1:1:1:	4:	3:2:4:	C[5]-3:Cl-1:H-1:H-1:	C-4:	N[5]-3:N[5]-2:C-4:	C(C[5]N[5]2)(Cl)(H)2	Cl(CC[5]HH)	C[5](N[5]C[5]C)(N[5]N[5])(CClHH)	C(C[5]N[5]2)(Cl)(H)2	Cl(CC[5]HH)	C[5](N[5]C[5]C)(N[5]N[5])(CClHH){1|C<4>,1|H<1>}	110.6703	1.094	3	110.6703	1.196	3	110.6703	1.196	3	111.1614	1.052	5	110.1852	1.619	44	110.1810	1.547	46
490	790	818	0:SP3_SP-NON_SP2	C	Cl	C[5]	3:1:1:1:	4:	3:3:4:	C[5]-3:Cl-1:H-1:H-1:	C-4:	C[5]-3:C[5]-3:C-4:	C(C[5]C[5]2)(Cl)(H)2	Cl(CC[5]HH)	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CClHH)	C(C[5]C[5]2)(Cl)(H)2	Cl(CC[5]HH)	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CClHH){2|C<4>}	110.0500	0.185	2	110.0500	0.034	2	110.0500	0.034	2	110.4634	0.504	8	110.1852	1.619	44	110.1810	1.547	46
490	790	818	0:SP3_SP-NON_SP2	C	Cl	C[5]	3:1:1:1:	4:	3:3:4:	C[5]-3:Cl-1:H-1:H-1:	C-4:	C[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5])(Cl)(H)2	Cl(CC[5]HH)	C[5](C[5]S[5]H)(N[5]C[5]H)(CClHH)	C(C[5]C[5]N[5])(Cl)(H)2	Cl(CC[5]HH)	C[5](C[5]S[5]H)(N[5]C[5]H)(CClHH){1|N<3>}	110.8135	0.595	2	110.8135	0.354	2	110.8135	0.354	2	110.4634	0.504	8	110.1852	1.619	44	110.1810	1.547	46
490	790	818	0:SP3_SP-NON_SP2	C	Cl	C[5]	3:1:1:1:	4:	3:3:4:	C[5]-3:Cl-1:H-1:H-1:	C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)(Cl)(H)2	Cl(CC[5]HH)	C[5](N[5]C[5,6a]H)2(CClHH)	C(C[5]N[5]2)(Cl)(H)2	Cl(CC[5]HH)	C[5](N[5]C[5,6a]H)2(CClHH){2|C<3>}	110.5720	0.000	1	110.5720	0.000	1	110.4950	0.849	4	110.4634	0.504	8	110.1852	1.619	44	110.1810	1.547	46
490	790	818	0:SP3_SP-NON_SP2	C	Cl	C[5]	3:1:1:1:	4:	3:3:4:	C[5]-3:Cl-1:H-1:H-1:	C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)(Cl)(H)2	Cl(CC[5]HH)	C[5](N[5]C[5]C)(N[5]N[5]H)(CClHH)	C(C[5]N[5]2)(Cl)(H)2	Cl(CC[5]HH)	C[5](N[5]C[5]C)(N[5]N[5]H)(CClHH){1|C<4>}	110.4693	1.127	3	110.4693	1.270	3	110.4950	0.849	4	110.4634	0.504	8	110.1852	1.619	44	110.1810	1.547	46
490	790	818	0:SP3_SP-NON_SP2	C	Cl	C[5]	3:1:1:1:	4:	4:3:4:	C[5]-3:Cl-1:H-1:H-1:	C-4:	C[5]-4:C[5]-3:C-4:	C(C[5]C[5]2)(Cl)(H)2	Cl(CC[5]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(CClHH)	C(C[5]C[5]2)(Cl)(H)2	Cl(CC[5]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(CClHH){1|S<4>,2|H<1>,4|C<3>}	111.2410	0.000	1	111.2410	0.000	1	111.2410	0.000	1	111.2410	0.000	1	110.1852	1.619	44	110.1810	1.547	46
490	790	830	0:SP3_SP-NON_SP-NON	C	Cl	F	2:1:1:1:	4:	4:	S-2:Cl-1:Cl-1:F-1:	C-4:	C-4:	C(SC)(Cl)2(F)	Cl(CClFS)	F(CCl2S)	C(SC)(Cl)2(F)	Cl(CClFS)	F(CCl2S)	108.4985	1.018	2	108.4985	1.035	2	108.4985	1.035	2	108.4985	1.035	2	108.4668	2.517	43	108.4668	2.517	43
490	790	830	0:SP3_SP-NON_SP-NON	C	Cl	F	3:1:1:1:	4:	4:	C-3:Cl-1:F-1:F-1:	C-4:	C-4:	C(CCN)(Cl)(F)2	Cl(CCFF)	F(CClCF)	C(CCN)(Cl)(F)2	Cl(CCFF)	F(CClCF)	107.2315	0.265	2	107.2315	0.070	2	108.4115	2.874	36	108.4189	2.769	38	108.4668	2.517	43	108.4668	2.517	43
490	790	830	0:SP3_SP-NON_SP-NON	C	Cl	F	3:1:1:1:	4:	4:	C-3:Cl-1:F-1:F-1:	C-4:	C-4:	C(CNO)(Cl)(F)2	Cl(CCFF)	F(CClCF)	C(CNO)(Cl)(F)2	Cl(CCFF)	F(CClCF)	108.9325	0.663	8	108.9325	0.439	8	108.4115	2.874	36	108.4189	2.769	38	108.4668	2.517	43	108.4668	2.517	43
490	790	830	0:SP3_SP-NON_SP-NON	C	Cl	F	3:1:1:1:	4:	4:	C-3:Cl-1:F-1:F-1:	C-4:	C-4:	C(COO)(Cl)(F)2	Cl(CCFF)	F(CClCF)	C(COO)(Cl)(F)2	Cl(CCFF)	F(CClCF)	108.3419	1.922	26	108.3419	3.695	26	108.4115	2.874	36	108.4189	2.769	38	108.4668	2.517	43	108.4668	2.517	43
490	790	830	0:SP3_SP-NON_SP-NON	C	Cl	F	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:F-1:F-1:	C-4:	C-4:	C(C[6a]C[6a,6a]2)(Cl)(F)2	Cl(CC[6a]FF)	F(CC[6a]ClF)	C(C[6a]C[6a,6a]2)(Cl)(F)2	Cl(CC[6a]FF)	F(CC[6a]ClF)	108.5530	1.346	2	108.5530	1.813	2	108.5530	1.813	2	108.4189	2.769	38	108.4668	2.517	43	108.4668	2.517	43
490	790	830	0:SP3_SP-NON_SP-NON	C	Cl	F	4:1:1:1:	4:	4:	C-4:Cl-1:F-1:F-1:	C-4:	C-4:	C(CCFF)(Cl)(F)2	Cl(CCFF)	F(CClCF)	C(CCFF)(Cl)(F)2	Cl(CCFF)	F(CClCF)	109.3110	0.846	2	109.3110	0.715	2	109.3110	0.715	2	109.3110	0.715	2	108.4668	2.517	43	108.4668	2.517	43
490	790	830	0:SP3_SP-NON_SP-NON	C	Cl	F	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:F-1:	C-4:	C-4:	C(CC[6a]HO)(COO)(Cl)(F)	Cl(CCCF)	F(CClCC)	C(CC[6a]HO)(COO)(Cl)(F)	Cl(CCCF)	F(CClCC)	108.5350	0.000	1	108.5350	0.000	1	108.5350	0.000	1	108.5350	0.000	1	108.4668	2.517	43	108.4668	2.517	43
490	790	849	0:SP3_SP-NON_SP3	C	Cl	P[6]	4:1:1:1:	4:	2:3:4:1:	P[6]-4:Cl-1:H-1:H-1:	C-4:	O[6]-2:N[6]-3:C-4:O-1:	C(P[6]N[6]O[6]O)(Cl)(H)2	Cl(CP[6]HH)	P[6](O[6]C[6,6a])(N[6]C[6]C)(CClHH)(O)	C(P[6]N[6]O[6]O)(Cl)(H)2	Cl(CP[6]HH)	P[6](O[6]C[6,6a])(N[6]C[6]C)(CClHH)(O){1|H<1>,3|C<3>}	111.0733	2.233	6	111.0733	4.984	6	111.0733	4.984	6	111.0733	4.984	6	111.0733	4.984	6	111.0733	4.984	6
490	790	854	0:SP3_SP-NON_SP3	C	Cl	N[3x6]	4:1:1:1:	4:	4:4:4:4:	N[3x6]-4:Cl-1:H-1:H-1:	C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(Cl)(H)2	Cl(CN[3x6]HH)	N[3x6](C[6,6]C[6,6]HH)3(CClHH)	C(N[3x6]C[6,6]3)(Cl)(H)2	Cl(CN[3x6]HH)	N[3x6](C[6,6]C[6,6]HH)3(CClHH){1|N<3>,6|H<1>}	112.4678	0.625	6	112.1466	0.374	13	112.1466	0.374	13	112.1466	0.374	13	112.1466	0.374	13	112.1466	0.374	13
490	790	854	0:SP3_SP-NON_SP3	C	Cl	N[3x6]	4:1:1:1:	4:	4:4:4:4:	N[3x6]-4:Cl-1:H-1:H-1:	C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(Cl)(H)2	Cl(CN[3x6]HH)	N[3x6](C[6,6]C[6,6]HH)3(CClHH)	C(N[3x6]C[6,6]3)(Cl)(H)2	Cl(CN[3x6]HH)	N[3x6](C[6,6]C[6,6]HH)3(CClHH){1|N<4>,6|H<1>}	111.8713	0.481	7	112.1466	0.374	13	112.1466	0.374	13	112.1466	0.374	13	112.1466	0.374	13	112.1466	0.374	13
490	790	880	0:SP3_SP-NON_SP3	C	Cl	Si	4:1:1:1:	4:	3:3:4:4:	Si-4:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(SiC[6a]2C)(Cl)(H)2	Cl(CSiHH)	Si(C[6a]C[6a]2)2(CClHH)(CH3)	C(SiC[6a]2C)(Cl)(H)2	Cl(CSiHH)	Si(C[6a]C[6a]2)2(CClHH)(CH3)	109.8985	0.489	2	109.8985	0.239	2	109.8985	0.239	2	109.8985	0.239	2	107.8169	5.670	15	107.8169	5.670	15
490	790	880	0:SP3_SP-NON_SP3	C	Cl	Si	4:1:1:1:	4:	4:4:4:2:	Si-4:Cl-1:H-1:H-1:	C-4:	C-4:C-4:C-4:O-2:	C(SiCCO)(Cl)(H)2	Cl(CSiHH)	Si(CN[6]HH)(CClHH)(CH3)(OSi)	C(SiCCO)(Cl)(H)2	Cl(CSiHH)	Si(CN[6]HH)(CClHH)(CH3)(OSi)	110.4930	0.000	1	110.4930	0.000	1	110.4930	0.000	1	110.4930	0.000	1	107.8169	5.670	15	107.8169	5.670	15
490	790	880	0:SP3_SP-NON_SP3	C	Cl	Si	4:1:1:1:	4:	4:4:4:4:	Si-4:Cl-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(SiC3)(Cl)(H)2	Cl(CSiHH)	Si(CClHH)(CH3)3	C(SiC3)(Cl)(H)2	Cl(CSiHH)	Si(CClHH)(CH3)3	111.9280	0.000	1	111.9280	0.000	1	111.9280	0.000	1	111.9280	0.000	1	107.8169	5.670	15	107.8169	5.670	15
490	790	880	0:SP3_SP-NON_SP3	C	Cl	Si	4:4:1:1:	4:	3:3:3:4:	P-4:Si-4:Cl-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2S)(SiC[6a]3)(Cl)(H)	Cl(CSiHP)	Si(C[6a]C[6a]2)3(CClHP)	C(PC[6a]2S)(SiC[6a]3)(Cl)(H)	Cl(CSiHP)	Si(C[6a]C[6a]2)3(CClHP)	109.7365	0.805	2	109.7365	0.649	2	109.7365	0.649	2	109.7365	0.649	2	107.8169	5.670	15	107.8169	5.670	15
490	790	880	0:SP3_SP-NON_SP3	C	Cl	Si	4:4:1:1:	4:	3:4:4:4:	Si-4:P-4:Cl-1:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(PC[6a]2S)(Cl)(H)	Cl(CSiHP)	Si(C[6a]C[6a]2)(CClHP)(CH3)2	C(SiC[6a]CC)(PC[6a]2S)(Cl)(H)	Cl(CSiHP)	Si(C[6a]C[6a]2)(CClHP)(CH3)2	106.7150	0.000	1	106.7150	0.000	1	106.7150	0.000	1	106.7150	0.000	1	107.8169	5.670	15	107.8169	5.670	15
490	790	880	0:SP3_SP-NON_SP3	C	Cl	Si	4:4:2:1:	4:	3:3:4:4:	Si-4:Si-4:Se-2:Cl-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(SiC[6a]2C)2(SeC)(Cl)	Cl(CSeSi2)	Si(C[6a]C[6a]2)2(CClSeSi)(CH3)	C(SiC[6a]2C)2(SeC)(Cl)	Cl(CSeSi2)	Si(C[6a]C[6a]2)2(CClSeSi)(CH3)	105.7957	1.983	4	105.7957	3.932	4	105.7957	3.932	4	105.7957	3.932	4	107.8169	5.670	15	107.8169	5.670	15
490	790	880	0:SP3_SP-NON_SP3	C	Cl	Si	4:4:2:1:	4:	3:4:4:4:	Si-4:Si-4:Se-2:Cl-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)2(SeSe)(Cl)	Cl(CSeSi2)	Si(C[6a]C[6a]2)(CClSeSi)(CH3)2	C(SiC[6a]CC)2(SeSe)(Cl)	Cl(CSeSi2)	Si(C[6a]C[6a]2)(CClSeSi)(CH3)2	106.4160	0.633	4	106.4160	0.400	4	106.4160	0.400	4	106.4160	0.400	4	107.8169	5.670	15	107.8169	5.670	15
490	790	887	0:SP3_SP-NON_SP3	C	Cl	S	3:1:1:1:	4:	3:4:1:	S-3:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(Cl)(H)2	Cl(CHHS)	S(C[6a]C[6a]2)(CClHH)(O)	C(SC[6a]O)(Cl)(H)2	Cl(CHHS)	S(C[6a]C[6a]2)(CClHH)(O)	107.8240	0.279	2	107.8240	0.078	2	107.8240	0.078	2	107.8240	0.078	2	110.0551	21.450	7	110.0551	21.450	7
490	790	887	0:SP3_SP-NON_SP3	C	Cl	S	3:1:1:1:	4:	3:4:4:	S-3:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:	C(SC[6a]C)(Cl)(H)2	Cl(CHHS)	S(C[6a]C[6a]2)(CClHH)(CH3)	C(SC[6a]C)(Cl)(H)2	Cl(CHHS)	S(C[6a]C[6a]2)(CClHH)(CH3)	111.2585	5.052	2	111.2585	25.526	2	111.2585	25.526	2	111.2585	25.526	2	110.0551	21.450	7	110.0551	21.450	7
490	790	887	0:SP3_SP-NON_SP3	C	Cl	S	3:1:1:1:	4:	4:4:4:	S-3:Cl-1:H-1:H-1:	C-4:	C-4:C-4:C-4:	C(SCC)(Cl)(H)2	Cl(CHHS)	S(CClHH)(CH3)2	C(SCC)(Cl)(H)2	Cl(CHHS)	S(CClHH)(CH3)2	116.8690	0.000	1	116.8690	0.000	1	116.8690	0.000	1	116.8690	0.000	1	110.0551	21.450	7	110.0551	21.450	7
490	790	887	0:SP3_SP-NON_SP3	C	Cl	S	4:3:1:1:	4:	3:4:1:	C-4:S-3:Cl-1:H-1:	C-4:	C[6a]-3:C-4:O-1:	C(CC[5]HH)(SC[6a]O)(Cl)(H)	Cl(CCHS)	S(C[6a]C[6a]2)(CClCH)(O)	C(CC[5]HH)(SC[6a]O)(Cl)(H)	Cl(CCHS)	S(C[6a]C[6a]2)(CClCH)(O)	107.6760	5.701	2	107.6760	32.498	2	107.6760	32.498	2	107.6760	32.498	2	110.0551	21.450	7	110.0551	21.450	7
490	790	892	0:SP3_SP-NON_SP3	C	Cl	N	4:1:1:1:	4:	3:4:4:4:	N-4:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(NC[6a]CC)(Cl)(H)2	Cl(CHHN)	N(C[6a]C[6a]2)(CClHH)(CH3)2	C(NC[6a]CC)(Cl)(H)2	Cl(CHHN)	N(C[6a]C[6a]2)(CClHH)(CH3)2	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	112.5885	1.716	24	112.5885	1.716	24
490	790	892	0:SP3_SP-NON_SP3	C	Cl	N	4:1:1:1:	4:	4:4:4:3:	N-4:Cl-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-3:	C(NC3)(Cl)(H)2	Cl(CHHN)	N(CClHH)(CCHH)(CH3)(CHH)	C(NC3)(Cl)(H)2	Cl(CHHN)	N(CClHH)(CCHH)(CH3)(CHH)	111.6220	0.000	1	111.6220	0.000	1	111.6220	0.000	1	111.6321	0.339	7	112.5885	1.716	24	112.5885	1.716	24
490	790	892	0:SP3_SP-NON_SP3	C	Cl	N	4:1:1:1:	4:	4:4:4:3:	N-4:Cl-1:H-1:H-1:	C-4:	C-4:C-4:C-4:N-3:	C(NCCN)(Cl)(H)2	Cl(CHHN)	N(CClHH)(CH3)2(NHH)	C(NCCN)(Cl)(H)2	Cl(CHHN)	N(CClHH)(CH3)2(NHH)	111.6338	0.638	6	111.6338	0.407	6	111.6338	0.407	6	111.6321	0.339	7	112.5885	1.716	24	112.5885	1.716	24
490	790	892	0:SP3_SP-NON_SP3	C	Cl	N	4:1:1:1:	4:	4:4:4:4:	N-4:Cl-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(NC3)(Cl)(H)2	Cl(CHHN)	N(CClHH)(CCHH)(CH3)2	C(NC3)(Cl)(H)2	Cl(CHHN)	N(CClHH)(CCHH)(CH3)2	112.6670	0.000	1	112.6670	0.000	1	113.0181	1.871	16	113.0181	1.871	16	112.5885	1.716	24	112.5885	1.716	24
490	790	892	0:SP3_SP-NON_SP3	C	Cl	N	4:1:1:1:	4:	4:4:4:4:	N-4:Cl-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(NC3)(Cl)(H)2	Cl(CHHN)	N(CClHH)(CCHH)3	C(NC3)(Cl)(H)2	Cl(CHHN)	N(CClHH)(CCHH)3	113.6569	1.920	7	113.6569	3.687	7	113.0181	1.871	16	113.0181	1.871	16	112.5885	1.716	24	112.5885	1.716	24
490	790	892	0:SP3_SP-NON_SP3	C	Cl	N	4:1:1:1:	4:	4:4:4:4:	N-4:Cl-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(NC3)(Cl)(H)2	Cl(CHHN)	N(CClHH)(CH3)3	C(NC3)(Cl)(H)2	Cl(CHHN)	N(CClHH)(CH3)3	112.5030	0.345	8	112.5030	0.119	8	113.0181	1.871	16	113.0181	1.871	16	112.5885	1.716	24	112.5885	1.716	24
490	790	893	0:SP3_SP-NON_SP2	C	Cl	O	2:1:1:1:	4:	4:3:	O-2:Cl-1:Cl-1:Cl-1:	C-4:	C-4:C-3:	C(OC)(Cl)3	Cl(CCl2O)	O(CCl3)(CClO)	C(OC)(Cl)3	Cl(CCl2O)	O(CCl3)(CClO)	108.7297	4.115	3	108.7297	16.932	3	108.7297	16.932	3	109.2315	12.295	4	110.6641	4.094	14	110.6641	4.094	14
490	790	893	0:SP3_SP-NON_SP2	C	Cl	O	2:1:1:1:	4:	4:3:	O-2:Cl-1:H-1:H-1:	C-4:	C-4:C-3:	C(OC)(Cl)(H)2	Cl(CHHO)	O(CClHH)(COO)	C(OC)(Cl)(H)2	Cl(CHHO)	O(CClHH)(COO)	110.7370	0.000	1	110.7370	0.000	1	110.7370	0.000	1	109.2315	12.295	4	110.6641	4.094	14	110.6641	4.094	14
490	790	893	0:SP3_SP-NON_SP2	C	Cl	O	2:2:1:1:	4:	3:4:	O-2:O-2:Cl-1:Cl-1:	C-4:	C[6a]-3:C-4:	C(OC[6a])2(Cl)2	Cl(CClOO)	O(C[6a]C[6a]2)(CCl2O)	C(OC[6a])2(Cl)2	Cl(CClOO)	O(C[6a]C[6a]2)(CCl2O)	111.9935	0.489	4	111.9935	0.240	4	111.9935	0.240	4	111.9935	0.240	4	110.6641	4.094	14	110.6641	4.094	14
490	790	893	0:SP3_SP-NON_SP2	C	Cl	O	3:2:1:1:	4:	3:4:	C[6a]-3:O-2:Cl-1:Cl-1:	C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(Cl)2	Cl(CC[6a]ClO)	O(C[6a]C[6a]2)(CC[6a]Cl2)	C(C[6a]C[6a]2)(OC[6a])(Cl)2	Cl(CC[6a]ClO)	O(C[6a]C[6a]2)(CC[6a]Cl2)	110.7328	0.252	6	110.7328	0.063	6	110.7328	0.063	6	110.7328	0.063	6	110.6641	4.094	14	110.6641	4.094	14
490	790	900	0:SP3_SP-NON_SP-NON	C	Cl	Cl	2:1:1:1:	4:	4:2:	Cl-2:Cl-1:Cl-1:H-1:	C-4:	C-4:H-2:	C(ClH)(Cl)2(H)	Cl(CCl2H)	Cl(CCl2H)(HC)	C(ClH)(Cl)2(H)	Cl(CCl2H)	Cl(CCl2H)(HC)	103.6835	0.691	2	103.6835	0.477	2	103.6835	0.477	2	104.1670	0.940	3	111.3542	167.999	5	111.3542	167.999	5
490	790	900	0:SP3_SP-NON_SP-NON	C	Cl	Cl	2:1:1:1:	4:	4:2:	Cl-2:Cl-1:H-1:H-1:	C-4:	C-4:Cl-2:	C(ClCl)(Cl)(H)2	Cl(CClHH)	Cl(CClHH)(ClC)	C(ClCl)(Cl)(H)2	Cl(CClHH)	Cl(CClHH)(ClC)	105.1340	0.000	1	105.1340	0.000	1	105.1340	0.000	1	104.1670	0.940	3	111.3542	167.999	5	111.3542	167.999	5
490	790	900	0:SP3_SP-NON_SP-NON	C	Cl	Cl	2:1:1:1:	4:	4:4:	Cl-2:Cl-1:Cl-1:H-1:	C-4:	C-4:C-4:	C(ClC)(Cl)2(H)	Cl(CCl2H)	Cl(CCl2H)2	C(ClC)(Cl)2(H)	Cl(CCl2H)	Cl(CCl2H)2	122.1350	16.814	2	122.1350	282.697	2	122.1350	282.697	2	122.1350	282.697	2	111.3542	167.999	5	111.3542	167.999	5
490	790	909	0:SP3_SP-NON_SP2	C	Cl	S	2:1:1:1:	4:	3:4:	S-2:Cl-1:Cl-1:Cl-1:	C-4:	C[5a]-3:C-4:	C(SC[5a])(Cl)3	Cl(CCl2S)	S(C[5a]N[5a]S[5a])(CCl3)	C(SC[5a])(Cl)3	Cl(CCl2S)	S(C[5a]N[5a]S[5a])(CCl3)	108.3175	6.029	2	108.3175	36.355	2	108.3175	36.355	2	110.3570	30.656	3	109.8057	24.791	9	109.8057	24.791	9
490	790	909	0:SP3_SP-NON_SP2	C	Cl	S	2:1:1:1:	4:	3:4:	S-2:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C-4:	C(SC[6a])(Cl)(H)2	Cl(CHHS)	S(C[6a]C[5,6a]C[6a])(CClHH)	C(SC[6a])(Cl)(H)2	Cl(CHHS)	S(C[6a]C[5,6a]C[6a])(CClHH)	114.4360	0.000	1	114.4360	0.000	1	114.4360	0.000	1	110.3570	30.656	3	109.8057	24.791	9	109.8057	24.791	9
490	790	909	0:SP3_SP-NON_SP2	C	Cl	S	2:1:1:1:	4:	4:2:	S-2:Cl-1:Cl-1:Cl-1:	C-4:	C-4:S-2:	C(SS)(Cl)3	Cl(CCl2S)	S(CCl3)(SC)	C(SS)(Cl)3	Cl(CCl2S)	S(CCl3)(SC)	109.5300	5.209	6	109.5300	27.130	6	109.5300	27.130	6	109.5300	27.130	6	109.8057	24.791	9	109.8057	24.791	9
490	790	909	0:SP3_SP-NON_SP3	C	Cl	S	2:1:1:1:	4:	4:2:	S-2:Cl-1:Cl-1:Cl-1:	C-4:	C-4:S-2:	C(SS)(Cl)3	Cl(CCl2S)	S(CCl3)(SC)	C(SS)(Cl)3	Cl(CCl2S)	S(CCl3)(SC)	109.6409	4.448	9	109.6409	19.781	9	109.6409	19.781	9	109.5197	19.216	11	109.0492	20.226	13	109.0492	20.226	13
490	790	909	0:SP3_SP-NON_SP3	C	Cl	S	2:1:1:1:	4:	4:2:	S-2:Cl-1:Cl-1:F-1:	C-4:	C-4:C-2:	C(SC)(Cl)2(F)	Cl(CClFS)	S(CCl2F)(CN)	C(SC)(Cl)2(F)	Cl(CClFS)	S(CCl2F)(CN)	108.9745	5.761	2	108.9745	33.187	2	108.9745	33.187	2	109.5197	19.216	11	109.0492	20.226	13	109.0492	20.226	13
490	790	909	0:SP3_SP-NON_SP3	C	Cl	S	4:2:1:1:	4:	3:4:	C-4:S-2:Cl-1:Cl-1:	C-4:	N[5]-3:C-4:	C(CCl2H)(SN[5])(Cl)2	Cl(CClCS)	S(N[5]C[5]2)(CCl2C)	C(CCl2H)(SN[5])(Cl)2	Cl(CClCS)	S(N[5]C[5]2)(CCl2C)	106.4615	5.892	2	106.4615	34.719	2	106.4615	34.719	2	106.4615	34.719	2	109.0492	20.226	13	109.0492	20.226	13
490	790	921	0:SP3_SP-NON_SP3	C	Cl	Se	4:4:2:1:	4:	4:2:	Si-4:Si-4:Se-2:Cl-1:	C-4:	C-4:Se-2:	C(SiC[6a]CC)2(SeSe)(Cl)	Cl(CSeSi2)	Se(CClSi2)(SeSe)	C(SiC[6a]CC)2(SeSe)(Cl)	Cl(CSeSi2)	Se(CClSi2)(SeSe)	110.9200	0.348	2	110.9200	0.121	2	110.9200	0.121	2	110.9200	0.121	2	112.1495	2.199	4	112.1495	2.199	4
490	790	921	0:SP3_SP-NON_SP3	C	Cl	Se	4:4:2:1:	4:	4:4:	Si-4:Si-4:Se-2:Cl-1:	C-4:	C-4:C-4:	C(SiC[6a]2C)2(SeC)(Cl)	Cl(CSeSi2)	Se(CClSi2)2	C(SiC[6a]2C)2(SeC)(Cl)	Cl(CSeSi2)	Se(CClSi2)2	113.3790	0.656	2	113.3790	0.431	2	113.3790	0.431	2	113.3790	0.431	2	112.1495	2.199	4	112.1495	2.199	4
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	2:4:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	N-2:C-4:O-1:	C(CNO)(Cl)3	Cl(CCl2C)	C(NC[5])(CCl3)(O)	C(CNO)(Cl)3	Cl(CCl2C)	C(NC[5])(CCl3)(O)	109.7700	3.464	3	109.7700	11.996	3	109.9702	12.104	6	109.6552	5.937	18	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	2:4:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	N-2:C-4:O-1:	C(CNO)(Cl)3	Cl(CCl2C)	C(NC[6])(CCl3)(O)	C(CNO)(Cl)3	Cl(CCl2C)	C(NC[6])(CCl3)(O)	110.1703	4.260	3	110.1703	18.144	3	109.9702	12.104	6	109.6552	5.937	18	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	2:4:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	O-2:C-4:N-1:	C(CNO)(Cl)3	Cl(CCl2C)	C(OC[6])(CCl3)(N)	C(CNO)(Cl)3	Cl(CCl2C)	C(OC[6])(CCl3)(N)	110.1373	1.797	3	110.1373	3.230	3	110.1373	3.230	3	109.6552	5.937	18	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	2:4:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	O-2:C-4:O-1:	C(COO)(Cl)3	Cl(CCl2C)	C(OC[6])(CCl3)(O)	C(COO)(Cl)3	Cl(CCl2C)	C(OC[6])(CCl3)(O)	109.2846	1.982	9	109.2846	3.928	9	109.2846	3.928	9	109.6552	5.937	18	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	2:4:2:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	O-2:C-4:N-2:	C(CNO)(Cl)3	Cl(CCl2C)	C(OC[6,6])(CCl3)(NH)	C(CNO)(Cl)3	Cl(CCl2C)	C(OC[6,6])(CCl3)(NH)	110.3997	2.405	3	110.3997	5.782	3	109.9925	3.626	6	109.9925	3.626	6	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	2:4:2:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	O-2:C-4:N-2:	C(CNO)(Cl)3	Cl(CCl2C)	C(OC[6])(CCl3)(NH)	C(CNO)(Cl)3	Cl(CCl2C)	C(OC[6])(CCl3)(NH)	109.5853	1.669	3	109.5853	2.785	3	109.9925	3.626	6	109.9925	3.626	6	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	2:4:4:	C-3:Cl-1:Cl-1:H-1:	C-4:	N-2:C-4:C-4:	C(CCN)(Cl)2(H)	Cl(CClCH)	C(NC[6a])(CCl2H)(CCHH)	C(CCN)(Cl)2(H)	Cl(CClCH)	C(NC[6a])(CCl2H)(CCHH)	110.1345	1.162	2	110.1345	1.350	2	110.1345	1.350	2	110.1345	1.350	2	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:2:4:	C-3:Cl-1:F-1:F-1:	C-4:	C-3:N-2:C-4:	C(CCN)(Cl)(F)2	Cl(CCFF)	C(CC[5]H)(NC[6a])(CClFF)	C(CCN)(Cl)(F)2	Cl(CCFF)	C(CC[5]H)(NC[6a])(CClFF)	112.9570	0.000	1	112.9570	0.000	1	112.9570	0.000	1	112.9570	0.000	1	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:3:4:	C-3:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C-3:C-4:	C(CC[6a]C)(Cl)(H)2	Cl(CCHH)	C(C[6a]C[6a]2)(CC[6a]H)(CClHH)	C(CC[6a]C)(Cl)(H)2	Cl(CCHH)	C(C[6a]C[6a]2)(CC[6a]H)(CClHH)	111.0010	0.000	1	111.0010	0.000	1	111.0010	0.000	1	111.0010	0.000	1	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-3:C-4:O-1:	C(CCO)(Cl)3	Cl(CCl2C)	C(CC[5]H)(CCl3)(O)	C(CCO)(Cl)3	Cl(CCl2C)	C(CC[5]H)(CCl3)(O)	109.7887	1.835	3	109.7887	3.366	3	109.7887	3.366	3	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C[5]-3:C-4:O-1:	C(CC[5]O)(Cl)3	Cl(CCl2C)	C(C[5]C[5]2)(CCl3)(O)	C(CC[5]O)(Cl)3	Cl(CCl2C)	C(C[5]C[5]2)(CCl3)(O)	110.6477	1.768	3	110.6477	3.125	3	110.6477	3.125	3	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C[5a]-3:C-4:O-1:	C(CC[5a]O)(Cl)3	Cl(CCl2C)	C(C[5a]C[5a,6a]C[5a])(CCl3)(O)	C(CC[5a]O)(Cl)3	Cl(CCl2C)	C(C[5a]C[5a,6a]C[5a])(CCl3)(O)	110.2772	1.463	5	110.2772	2.141	5	109.9576	1.819	17	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C[5a]-3:C-4:O-1:	C(CC[5a]O)(Cl)3	Cl(CCl2C)	C(C[5a]C[5a]N[5a])(CCl3)(O)	C(CC[5a]O)(Cl)3	Cl(CCl2C)	C(C[5a]C[5a]N[5a])(CCl3)(O)	109.8244	1.342	12	109.8244	1.802	12	109.9576	1.819	17	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	N-3:C-4:N-1:	C(CNN)(Cl)3	Cl(CCl2C)	C(NC[6a]H)(CCl3)(N)	C(CNN)(Cl)3	Cl(CCl2C)	C(NC[6a]H)(CCl3)(N)	110.3677	2.422	3	110.3677	5.865	3	110.3677	5.865	3	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	N-3:C-4:O-1:	C(CNO)(Cl)3	Cl(CCl2C)	C(NC[5]H)(CCl3)(O)	C(CNO)(Cl)3	Cl(CCl2C)	C(NC[5]H)(CCl3)(O)	109.8320	3.672	6	109.8320	13.481	6	109.8460	8.850	48	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	N-3:C-4:O-1:	C(CNO)(Cl)3	Cl(CCl2C)	C(NC[6]H)(CCl3)(O)	C(CNO)(Cl)3	Cl(CCl2C)	C(NC[6]H)(CCl3)(O)	109.8347	3.015	30	109.8347	9.087	30	109.8460	8.850	48	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	N-3:C-4:O-1:	C(CNO)(Cl)3	Cl(CCl2C)	C(NC[6a]H)(CCl3)(O)	C(CNO)(Cl)3	Cl(CCl2C)	C(NC[6a]H)(CCl3)(O)	109.8814	2.780	12	109.8814	7.728	12	109.8460	8.850	48	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	N[5]-3:C-4:O-1:	C(CN[5]O)(Cl)3	Cl(CCl2C)	C(N[5]C[5]2)(CCl3)(O)	C(CN[5]O)(Cl)3	Cl(CCl2C)	C(N[5]C[5]2)(CCl3)(O)	110.0363	1.118	6	110.0363	1.250	6	110.0363	1.250	6	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:Cl-1:H-1:	C-4:	C[5a]-3:C-4:O-1:	C(CC[5a]O)(Cl)2(H)	Cl(CClCH)	C(C[5a]C[5a,6a]C[5a])(CCl2H)(O)	C(CC[5a]O)(Cl)2(H)	Cl(CClCH)	C(C[5a]C[5a,6a]C[5a])(CCl2H)(O)	109.5555	2.528	2	109.5555	6.390	2	109.6202	4.786	4	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:Cl-1:H-1:	C-4:	C[5a]-3:C-4:O-1:	C(CC[5a]O)(Cl)2(H)	Cl(CClCH)	C(C[5a]C[5a]N[5a])(CCl2H)(O)	C(CC[5a]O)(Cl)2(H)	Cl(CClCH)	C(C[5a]C[5a]N[5a])(CCl2H)(O)	109.6850	2.820	2	109.6850	7.952	2	109.6202	4.786	4	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:Cl-1:H-1:	C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(Cl)2(H)	Cl(CClCH)	C(C[6a]C[6a]2)(CCl2H)(O)	C(CC[6a]O)(Cl)2(H)	Cl(CClCH)	C(C[6a]C[6a]2)(CCl2H)(O)	109.5365	3.330	2	109.5365	11.087	2	109.5365	11.087	2	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:Cl-1:H-1:	C-4:	N-3:C-4:O-1:	C(CNO)(Cl)2(H)	Cl(CClCH)	C(NC[6a]C)(CCl2H)(O)	C(CNO)(Cl)2(H)	Cl(CClCH)	C(NC[6a]C)(CCl2H)(O)	108.9860	1.316	6	108.9860	1.731	6	109.0998	1.232	20	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:Cl-1:H-1:	C-4:	N-3:C-4:O-1:	C(CNO)(Cl)2(H)	Cl(CClCH)	C(NC[6a]H)(CCl2H)(O)	C(CNO)(Cl)2(H)	Cl(CClCH)	C(NC[6a]H)(CCl2H)(O)	109.1486	1.061	14	109.1486	1.126	14	109.0998	1.232	20	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:Cl-1:H-1:	C-4:	N[5]-3:C-4:O-1:	C(CN[5]O)(Cl)2(H)	Cl(CClCH)	C(N[5]C[5]2)(CCl2H)(O)	C(CN[5]O)(Cl)2(H)	Cl(CClCH)	C(N[5]C[5]2)(CCl2H)(O)	109.2578	1.787	4	109.2578	3.192	4	109.2578	3.192	4	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:Cl-1:H-1:	C-4:	N[6]-3:C-4:O-1:	C(CN[6]O)(Cl)2(H)	Cl(CClCH)	C(N[6]C[5,6]C[6])(CCl2H)(O)	C(CN[6]O)(Cl)2(H)	Cl(CClCH)	C(N[6]C[5,6]C[6])(CCl2H)(O)	108.6172	1.784	4	108.6172	3.182	4	109.0448	3.459	24	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:Cl-1:H-1:	C-4:	N[6]-3:C-4:O-1:	C(CN[6]O)(Cl)2(H)	Cl(CClCH)	C(N[6]C[6,6a]C[6])(CCl2H)(O)	C(CN[6]O)(Cl)2(H)	Cl(CClCH)	C(N[6]C[6,6a]C[6])(CCl2H)(O)	109.7035	0.856	2	109.7035	0.733	2	109.0448	3.459	24	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:Cl-1:H-1:	C-4:	N[6]-3:C-4:O-1:	C(CN[6]O)(Cl)2(H)	Cl(CClCH)	C(N[6]C[6]2)(CCl2H)(O)	C(CN[6]O)(Cl)2(H)	Cl(CClCH)	C(N[6]C[6]2)(CCl2H)(O)	109.0666	1.995	18	109.0666	3.980	18	109.0448	3.459	24	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(Cl)(H)2	Cl(CCHH)	C(C[6a]C[5,6a]C[6a])(CClHH)(O)	C(CC[6a]O)(Cl)(H)2	Cl(CCHH)	C(C[6a]C[5,6a]C[6a])(CClHH)(O)	113.6325	0.312	2	113.6325	0.097	2	112.7950	1.499	14	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(Cl)(H)2	Cl(CCHH)	C(C[6a]C[6a]2)(CClHH)(O)	C(CC[6a]O)(Cl)(H)2	Cl(CCHH)	C(C[6a]C[6a]2)(CClHH)(O)	112.6554	1.271	12	112.6554	1.614	12	112.7950	1.499	14	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	N-3:C-4:O-1:	C(CNO)(Cl)(H)2	Cl(CCHH)	C(NC[3x6]H)(CClHH)(O)	C(CNO)(Cl)(H)2	Cl(CCHH)	C(NC[3x6]H)(CClHH)(O)	112.8340	0.000	1	112.8340	0.000	1	112.2366	4.791	58	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	N-3:C-4:O-1:	C(CNO)(Cl)(H)2	Cl(CCHH)	C(NC[5a]C)(CClHH)(O)	C(CNO)(Cl)(H)2	Cl(CCHH)	C(NC[5a]C)(CClHH)(O)	110.7900	1.105	2	110.7900	1.220	2	112.2366	4.791	58	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	N-3:C-4:O-1:	C(CNO)(Cl)(H)2	Cl(CCHH)	C(NC[5a]H)(CClHH)(O)	C(CNO)(Cl)(H)2	Cl(CCHH)	C(NC[5a]H)(CClHH)(O)	111.8076	2.327	8	111.8076	5.414	8	112.2366	4.791	58	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	N-3:C-4:O-1:	C(CNO)(Cl)(H)2	Cl(CCHH)	C(NC[6]2)(CClHH)(O)	C(CNO)(Cl)(H)2	Cl(CCHH)	C(NC[6]2)(CClHH)(O)	110.2950	0.000	1	110.2950	0.000	1	112.2366	4.791	58	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	N-3:C-4:O-1:	C(CNO)(Cl)(H)2	Cl(CCHH)	C(NC[6]C)(CClHH)(O)	C(CNO)(Cl)(H)2	Cl(CCHH)	C(NC[6]C)(CClHH)(O)	110.6850	0.000	1	110.6850	0.000	1	112.2366	4.791	58	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	N-3:C-4:O-1:	C(CNO)(Cl)(H)2	Cl(CCHH)	C(NC[6]H)(CClHH)(O)	C(CNO)(Cl)(H)2	Cl(CCHH)	C(NC[6]H)(CClHH)(O)	110.9150	3.759	2	110.9150	14.130	2	112.2366	4.791	58	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	N-3:C-4:O-1:	C(CNO)(Cl)(H)2	Cl(CCHH)	C(NC[6a]2)(CClHH)(O)	C(CNO)(Cl)(H)2	Cl(CCHH)	C(NC[6a]2)(CClHH)(O)	110.8500	0.000	1	110.8500	0.000	1	112.2366	4.791	58	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	N-3:C-4:O-1:	C(CNO)(Cl)(H)2	Cl(CCHH)	C(NC[6a]C)(CClHH)(O)	C(CNO)(Cl)(H)2	Cl(CCHH)	C(NC[6a]C)(CClHH)(O)	112.0421	0.751	7	112.0421	0.564	7	112.2366	4.791	58	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	N-3:C-4:O-1:	C(CNO)(Cl)(H)2	Cl(CCHH)	C(NC[6a]H)(CClHH)(O)	C(CNO)(Cl)(H)2	Cl(CCHH)	C(NC[6a]H)(CClHH)(O)	112.6541	2.379	35	112.6541	5.661	35	112.2366	4.791	58	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	N[5]-3:C-4:O-1:	C(CN[5]O)(Cl)(H)2	Cl(CCHH)	C(N[5]C[5]2)(CClHH)(O)	C(CN[5]O)(Cl)(H)2	Cl(CCHH)	C(N[5]C[5]2)(CClHH)(O)	111.4810	0.000	1	111.4810	0.000	1	111.4810	0.000	1	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	N[5a]-3:C-4:O-1:	C(CN[5a]O)(Cl)(H)2	Cl(CCHH)	C(N[5a]C[5a,6a]N[5a])(CClHH)(O)	C(CN[5a]O)(Cl)(H)2	Cl(CCHH)	C(N[5a]C[5a,6a]N[5a])(CClHH)(O)	111.4110	0.000	1	111.4110	0.000	1	111.4110	0.000	1	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	N[6]-3:C-4:O-1:	C(CN[6]O)(Cl)(H)2	Cl(CCHH)	C(N[6]C[6,6a]C[6,6])(CClHH)(O)	C(CN[6]O)(Cl)(H)2	Cl(CCHH)	C(N[6]C[6,6a]C[6,6])(CClHH)(O)	111.1420	0.000	1	111.1420	0.000	1	111.0977	1.237	31	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	N[6]-3:C-4:O-1:	C(CN[6]O)(Cl)(H)2	Cl(CCHH)	C(N[6]C[6]2)(CClHH)(O)	C(CN[6]O)(Cl)(H)2	Cl(CCHH)	C(N[6]C[6]2)(CClHH)(O)	111.1417	1.123	29	111.1417	1.261	29	111.0977	1.237	31	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	N[6]-3:C-4:O-1:	C(CN[6]O)(Cl)(H)2	Cl(CCHH)	C(N[6]C[6]N[6])(CClHH)(O)	C(CN[6]O)(Cl)(H)2	Cl(CCHH)	C(N[6]C[6]N[6])(CClHH)(O)	109.7770	0.000	1	109.7770	0.000	1	111.0977	1.237	31	110.6441	5.588	239	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:2:	C-3:Cl-1:H-1:H-1:	C-4:	C[5a]-3:C-4:O-2:	C(CC[5a]O)(Cl)(H)2	Cl(CCHH)	C(C[5a]C[5a]2)(CClHH)(ORu)	C(CC[5a]O)(Cl)(H)2	Cl(CCHH)	C(C[5a]C[5a]2)(CClHH)(ORu)	113.5900	0.000	1	113.5900	0.000	1	113.5900	0.000	1	111.1137	4.667	3	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:2:	C-3:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C-4:N-2:	C(CC[6a]N)(Cl)(H)2	Cl(CCHH)	C(C[6a]C[6a]2)(CClHH)(NO)	C(CC[6a]N)(Cl)(H)2	Cl(CCHH)	C(C[6a]C[6a]2)(CClHH)(NO)	109.8755	0.368	2	109.8755	0.136	2	109.8755	0.136	2	111.1137	4.667	3	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:3:	C-3:Cl-1:H-1:H-1:	C-4:	C-3:C-4:C-3:	C(CCC)(Cl)(H)2	Cl(CCHH)	C(CC[6a]H)(CClHH)(COO)	C(CCC)(Cl)(H)2	Cl(CCHH)	C(CC[6a]H)(CClHH)(COO)	112.2210	0.000	1	112.2210	0.000	1	112.2210	0.000	1	110.6606	1.023	7	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:3:	C-3:Cl-1:H-1:H-1:	C-4:	C-3:C-4:N-3:	C(CCN)(Cl)(H)2	Cl(CCHH)	C(CC[6a]Cl)(CClHH)(NHS)	C(CCN)(Cl)(H)2	Cl(CCHH)	C(CC[6a]Cl)(CClHH)(NHS)	111.5490	0.000	1	111.5490	0.000	1	111.5490	0.000	1	110.6606	1.023	7	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:3:	C-3:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(Cl)(H)2	Cl(CCHH)	C(C[6a]C[6a]2)(CClHH)(CCH)	C(CC[6a]C)(Cl)(H)2	Cl(CCHH)	C(C[6a]C[6a]2)(CClHH)(CCH)	109.3380	0.000	1	109.3380	0.000	1	110.1708	0.429	5	110.6606	1.023	7	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:3:	C-3:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(Cl)(H)2	Cl(CCHH)	C(C[6a]C[6a]2)(CClHH)(CCl2)	C(CC[6a]C)(Cl)(H)2	Cl(CCHH)	C(C[6a]C[6a]2)(CClHH)(CCl2)	110.3790	0.532	4	110.3790	0.283	4	110.1708	0.429	5	110.6606	1.023	7	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	3:4:4:	C-3:Cl-1:H-1:H-1:	C-4:	C-3:C-4:C-4:	C(CCC)(Cl)(H)2	Cl(CCHH)	C(CC[3]Cl)(CClHH)(CH3)	C(CCC)(Cl)(H)2	Cl(CCHH)	C(CC[3]Cl)(CClHH)(CH3)	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:1:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:O-1:O-1:	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(O)2	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(O)2	110.2754	2.406	155	110.2754	5.787	155	110.2754	5.787	155	110.5891	8.325	209	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:1:1:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:O-1:O-1:	C(COO)(Cl)2(H)	Cl(CClCH)	C(CCl2H)(O)2	C(COO)(Cl)2(H)	Cl(CClCH)	C(CCl2H)(O)2	111.1375	2.404	36	111.1375	5.778	36	111.1375	5.778	36	110.5891	8.325	209	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:1:1:	C-3:Cl-1:F-1:F-1:	C-4:	C-4:O-1:O-1:	C(COO)(Cl)(F)2	Cl(CCFF)	C(CClFF)(O)2	C(COO)(Cl)(F)2	Cl(CCFF)	C(CClFF)(O)2	110.9104	0.518	5	110.9104	0.268	5	110.9104	0.268	5	110.5891	8.325	209	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:1:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:Cl-1:H-1:	C(CClH)(Cl)(H)2	Cl(CCHH)	C(CClHH)(Cl)(H)	C(CClH)(Cl)(H)2	Cl(CCHH)	C(CClHH)(Cl)(H)	113.5360	0.000	1	113.5360	0.000	1	113.5360	0.000	1	110.5891	8.325	209	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:1:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:H-1:H-1:	C(CHH)(Cl)(H)2	Cl(CCHH)	C(CClHH)(H)2	C(CHH)(Cl)(H)2	Cl(CCHH)	C(CClHH)(H)2	101.4931	15.710	2	101.4931	246.813	2	101.4931	246.813	2	110.5891	8.325	209	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:1:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:O-1:O-1:	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(O)2	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(O)2	114.8413	0.977	10	114.8413	0.954	10	114.8413	0.954	10	110.5891	8.325	209	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:N-2:O-1:	C(CNO)(Cl)3	Cl(CCl2C)	C(CCl3)(NAs)(O)	C(CNO)(Cl)3	Cl(CCl2C)	C(CCl3)(NAs)(O)	110.1310	4.408	3	110.1310	19.431	3	109.8457	11.537	9	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:N-2:O-1:	C(CNO)(Cl)3	Cl(CCl2C)	C(CCl3)(NP)(O)	C(CNO)(Cl)3	Cl(CCl2C)	C(CCl3)(NP)(O)	109.7030	3.258	6	109.7030	10.614	6	109.8457	11.537	9	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(OC)(O)	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(OC)(O)	109.2957	2.982	3	109.2957	8.890	3	109.8057	6.482	77	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(OCo)(O)	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(OCo)(O)	109.6667	2.689	26	109.6667	7.229	26	109.8057	6.482	77	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(OCu)(O)	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(OCu)(O)	109.8088	3.354	6	109.8088	11.248	6	109.8057	6.482	77	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(OH)(O)	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(OH)(O)	109.6337	2.312	21	109.6337	5.346	21	109.8057	6.482	77	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(OMn)(O)	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(OMn)(O)	110.0003	2.987	3	110.0003	8.920	3	109.8057	6.482	77	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(ONi)(O)	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(ONi)(O)	110.4293	3.447	3	110.4293	11.880	3	109.8057	6.482	77	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(ORe)(O)	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(ORe)(O)	110.9693	4.018	3	110.9693	16.148	3	109.8057	6.482	77	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(OSn)(O)	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(OSn)(O)	109.9152	2.027	6	109.9152	4.108	6	109.8057	6.482	77	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(OZn)(O)	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(OZn)(O)	110.1620	2.386	6	110.1620	5.691	6	109.8057	6.482	77	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)2(H)	Cl(CClCH)	C(CCl2H)(OCu)(O)	C(COO)(Cl)2(H)	Cl(CClCH)	C(CCl2H)(OCu)(O)	111.0180	2.207	6	111.0180	4.870	6	110.5940	5.763	22	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)2(H)	Cl(CClCH)	C(CCl2H)(OH)(O)	C(COO)(Cl)2(H)	Cl(CClCH)	C(CCl2H)(OH)(O)	110.4779	2.456	12	110.4779	6.033	12	110.5940	5.763	22	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)2(H)	Cl(CClCH)	C(CCl2H)(OPt)(O)	C(COO)(Cl)2(H)	Cl(CClCH)	C(CCl2H)(OPt)(O)	110.3065	3.096	4	110.3065	9.582	4	110.5940	5.763	22	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:F-1:F-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)(F)2	Cl(CCFF)	C(CClFF)(OMn)(O)	C(COO)(Cl)(F)2	Cl(CCFF)	C(CClFF)(OMn)(O)	110.3390	0.000	1	110.3390	0.000	1	111.1748	1.065	8	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:F-1:F-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)(F)2	Cl(CCFF)	C(CClFF)(OSn)(O)	C(COO)(Cl)(F)2	Cl(CCFF)	C(CClFF)(OSn)(O)	111.2941	1.053	7	111.2941	1.110	7	111.1748	1.065	8	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:N-2:O-1:	C(CNO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(NP)(O)	C(CNO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(NP)(O)	112.4400	0.000	1	112.4400	0.000	1	112.4400	0.000	1	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OB)(O)	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OB)(O)	117.5710	0.000	1	117.5710	0.000	1	113.6481	6.634	28	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OC)(O)	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OC)(O)	112.3473	2.509	8	112.3473	6.293	8	113.6481	6.634	28	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OC[5])(O)	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OC[5])(O)	112.2823	0.959	6	112.2823	0.919	6	113.6481	6.634	28	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OC[6])(O)	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OC[6])(O)	111.4200	0.785	3	111.4200	0.616	3	113.6481	6.634	28	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OCu)(O)	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OCu)(O)	114.4510	0.000	1	114.4510	0.000	1	113.6481	6.634	28	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OH)(O)	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OH)(O)	116.7023	0.245	3	116.7023	0.060	3	113.6481	6.634	28	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OI)(O)	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OI)(O)	114.4880	2.044	3	114.4880	4.180	3	113.6481	6.634	28	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OMn)(O)	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OMn)(O)	116.6490	0.000	1	116.6490	0.000	1	113.6481	6.634	28	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OSb)(O)	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OSb)(O)	118.6740	0.000	1	118.6740	0.000	1	113.6481	6.634	28	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:O-2:O-1:	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OSn)(O)	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OSn)(O)	114.4980	0.000	1	114.4980	0.000	1	113.6481	6.634	28	110.7635	8.393	145	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:2:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:N-2:N-2:	C(CNN)(Cl)3	Cl(CCl2C)	C(CCl3)(NC)(NH)	C(CNN)(Cl)3	Cl(CCl2C)	C(CCl3)(NC)(NH)	110.4987	2.032	24	110.4987	4.130	24	110.4987	4.130	24	110.6614	7.343	70	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:2:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:N-2:O-2:	C(CNO)(Cl)3	Cl(CCl2C)	C(CCl3)(NH)(OC)	C(CNO)(Cl)3	Cl(CCl2C)	C(CCl3)(NH)(OC)	109.9527	1.039	3	109.9527	1.079	3	109.9527	1.079	3	110.6614	7.343	70	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:2:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:O-2:O-2:	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(OCo)2	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(OCo)2	109.9841	2.778	27	109.9841	7.715	27	109.8882	8.953	33	110.6614	7.343	70	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:2:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:O-2:O-2:	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(OMo)(OH)	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(OMo)(OH)	108.7833	4.565	3	108.7833	20.838	3	109.8882	8.953	33	110.6614	7.343	70	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:2:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:O-2:O-2:	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(ONi)2	C(COO)(Cl)3	Cl(CCl2C)	C(CCl3)(ONi)2	110.1297	4.481	3	110.1297	20.076	3	109.8882	8.953	33	110.6614	7.343	70	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:2:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:O-2:O-2:	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OCu)2	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OCu)2	113.8246	0.449	9	113.8246	0.202	9	113.8158	0.180	10	110.6614	7.343	70	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:2:2:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:O-2:O-2:	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OSn)2	C(COO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(OSn)2	113.7370	0.000	1	113.7370	0.000	1	113.8158	0.180	10	110.6614	7.343	70	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:C-3:H-1:	C(CCH)(Cl)3	Cl(CCl2C)	C(CCl3)(CCH)(H)	C(CCH)(Cl)3	Cl(CCl2C)	C(CCl3)(CCH)(H)	110.7125	3.505	2	110.7125	12.286	2	110.7125	12.286	2	111.0040	7.239	105	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:C-3:O-1:	C(CCO)(Cl)3	Cl(CCl2C)	C(CCl3)(CCH)(O)	C(CCO)(Cl)3	Cl(CCl2C)	C(CCl3)(CCH)(O)	110.2248	4.452	6	110.2248	19.823	6	110.2248	19.823	6	111.0040	7.239	105	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:N-3:O-1:	C(CNO)(Cl)3	Cl(CCl2C)	C(CCl3)(NCC)(O)	C(CNO)(Cl)3	Cl(CCl2C)	C(CCl3)(NCC)(O)	110.1882	1.373	6	110.1882	1.885	6	109.7540	3.185	42	111.0040	7.239	105	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:N-3:O-1:	C(CNO)(Cl)3	Cl(CCl2C)	C(CCl3)(NCH)(O)	C(CNO)(Cl)3	Cl(CCl2C)	C(CCl3)(NCH)(O)	109.6577	1.359	15	109.6577	1.846	15	109.7540	3.185	42	111.0040	7.239	105	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:N-3:O-1:	C(CNO)(Cl)3	Cl(CCl2C)	C(CCl3)(NHP)(O)	C(CNO)(Cl)3	Cl(CCl2C)	C(CCl3)(NHP)(O)	109.6001	1.510	18	109.6001	2.280	18	109.7540	3.185	42	111.0040	7.239	105	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:N-3:O-1:	C(CNO)(Cl)3	Cl(CCl2C)	C(CCl3)(NIrH)(O)	C(CNO)(Cl)3	Cl(CCl2C)	C(CCl3)(NIrH)(O)	110.2900	5.197	3	110.2900	27.008	3	109.7540	3.185	42	111.0040	7.239	105	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:1:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:C-3:O-1:	C(CCO)(Cl)2(H)	Cl(CClCH)	C(CCl2H)(CCH)(O)	C(CCO)(Cl)2(H)	Cl(CClCH)	C(CCl2H)(CCH)(O)	109.9450	0.713	2	109.9450	0.508	2	109.9450	0.508	2	111.0040	7.239	105	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:1:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:N-3:O-1:	C(CNO)(Cl)2(H)	Cl(CClCH)	C(CCl2H)(NCC)(O)	C(CNO)(Cl)2(H)	Cl(CClCH)	C(CCl2H)(NCC)(O)	109.0170	2.110	2	109.0170	4.452	2	109.3663	1.737	14	111.0040	7.239	105	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:1:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:N-3:O-1:	C(CNO)(Cl)2(H)	Cl(CClCH)	C(CCl2H)(NHP)(O)	C(CNO)(Cl)2(H)	Cl(CClCH)	C(CCl2H)(NHP)(O)	109.6453	1.696	6	109.6453	2.875	6	109.3663	1.737	14	111.0040	7.239	105	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:1:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:N-3:O-1:	C(CNO)(Cl)2(H)	Cl(CClCH)	C(CCl2H)(NHS)(O)	C(CNO)(Cl)2(H)	Cl(CClCH)	C(CCl2H)(NHS)(O)	109.2037	0.759	6	109.2037	0.576	6	109.3663	1.737	14	111.0040	7.239	105	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:1:	C-3:Cl-1:F-1:F-1:	C-4:	C-4:N-3:O-1:	C(CNO)(Cl)(F)2	Cl(CCFF)	C(CClFF)(NHP)(O)	C(CNO)(Cl)(F)2	Cl(CCFF)	C(CClFF)(NHP)(O)	110.2338	0.883	4	110.2338	0.780	4	110.2338	0.780	4	111.0040	7.239	105	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:C-3:H-1:	C(CCH)(Cl)(H)2	Cl(CCHH)	C(CClHH)(CCH)(H)	C(CCH)(Cl)(H)2	Cl(CCHH)	C(CClHH)(CCH)(H)	113.6965	2.872	4	113.6965	8.249	4	113.6965	8.249	4	111.0040	7.239	105	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:C-3:O-1:	C(CCO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(CCC)(O)	C(CCO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(CCC)(O)	113.1570	0.000	1	113.1570	0.000	1	112.1012	0.357	15	111.0040	7.239	105	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:C-3:O-1:	C(CCO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(CCH)(O)	C(CCO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(CCH)(O)	112.4020	0.000	1	112.4020	0.000	1	112.1012	0.357	15	111.0040	7.239	105	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:C-3:O-1:	C(CCO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(CCN)(O)	C(CCO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(CCN)(O)	111.9968	0.551	13	111.9968	0.304	13	112.1012	0.357	15	111.0040	7.239	105	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:N-3:O-1:	C(CNO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(NCC)(O)	C(CNO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(NCC)(O)	111.4180	0.000	1	111.4180	0.000	1	114.6702	5.464	16	111.0040	7.239	105	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:N-3:O-1:	C(CNO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(NCH)(O)	C(CNO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(NCH)(O)	115.0092	2.218	13	115.0092	4.921	13	114.6702	5.464	16	111.0040	7.239	105	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:N-3:O-1:	C(CNO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(NHP)(O)	C(CNO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(NHP)(O)	111.8390	0.000	1	111.8390	0.000	1	114.6702	5.464	16	111.0040	7.239	105	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:N-3:O-1:	C(CNO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(NHS)(O)	C(CNO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(NHS)(O)	116.3470	0.000	1	116.3470	0.000	1	114.6702	5.464	16	111.0040	7.239	105	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:2:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:N-3:N-2:	C(CNN)(Cl)3	Cl(CCl2C)	C(CCl3)(NCuH)(NC)	C(CNN)(Cl)3	Cl(CCl2C)	C(CCl3)(NCuH)(NC)	110.2350	2.545	6	110.2350	6.479	6	110.1032	6.417	9	110.1335	5.713	10	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:2:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:N-3:N-2:	C(CNN)(Cl)3	Cl(CCl2C)	C(CCl3)(NHH)(NC)	C(CNN)(Cl)3	Cl(CCl2C)	C(CCl3)(NHH)(NC)	109.8397	3.052	3	109.8397	9.313	3	110.1032	6.417	9	110.1335	5.713	10	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:3:2:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:N-3:O-2:	C(CNO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(NPtH)(ON)	C(CNO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(NPtH)(ON)	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	110.1335	5.713	10	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:4:1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:	C-4:C-4:O-1:	C(CCO)(Cl)3	Cl(CCl2C)	C(CCHH)(CCl3)(O)	C(CCO)(Cl)3	Cl(CCl2C)	C(CCHH)(CCl3)(O)	109.4708	3.350	6	109.4708	11.221	6	109.4708	11.221	6	111.4113	8.026	15	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:C-4:O-1:	C(CCO)(Cl)(H)2	Cl(CCHH)	C(CC[5]HH)(CClHH)(O)	C(CCO)(Cl)(H)2	Cl(CCHH)	C(CC[5]HH)(CClHH)(O)	112.9520	0.000	1	112.9520	0.000	1	112.3685	0.681	2	111.4113	8.026	15	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:C-4:O-1:	C(CCO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(CHHO)(O)	C(CCO)(Cl)(H)2	Cl(CCHH)	C(CClHH)(CHHO)(O)	111.7850	0.000	1	111.7850	0.000	1	112.3685	0.681	2	111.4113	8.026	15	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	C[4]-4:C-4:O-1:	C(CC[4]O)(Cl)(H)2	Cl(CCHH)	C(C[4]C[4]2H)(CClHH)(O)	C(CC[4]O)(Cl)(H)2	Cl(CCHH)	C(C[4]C[4]2H)(CClHH)(O)	114.0300	0.000	1	114.0300	0.000	1	114.0300	0.000	1	111.4113	8.026	15	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	C[5]-4:C-4:O-1:	C(CC[5]O)(Cl)(H)2	Cl(CCHH)	C(C[5]C[5,6]C[5]O)(CClHH)(O)	C(CC[5]O)(Cl)(H)2	Cl(CCHH)	C(C[5]C[5,6]C[5]O)(CClHH)(O)	111.6193	0.739	3	111.6193	0.546	3	112.6704	3.925	5	111.4113	8.026	15	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	C[5]-4:C-4:O-1:	C(CC[5]O)(Cl)(H)2	Cl(CCHH)	C(C[5]C[5]2Fe)(CClHH)(O)	C(CC[5]O)(Cl)(H)2	Cl(CCHH)	C(C[5]C[5]2Fe)(CClHH)(O)	114.2470	2.514	2	114.2470	6.323	2	112.6704	3.925	5	111.4113	8.026	15	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:1:1:1:	4:	4:4:1:	C-3:Cl-1:H-1:H-1:	C-4:	C[6]-4:C-4:O-1:	C(CC[6]O)(Cl)(H)2	Cl(CCHH)	C(C[6]C[6]O[6]H)(CClHH)(O)	C(CC[6]O)(Cl)(H)2	Cl(CCHH)	C(C[6]C[6]O[6]H)(CClHH)(O)	112.2260	0.000	1	112.2260	0.000	1	112.2260	0.000	1	111.4113	8.026	15	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:3:1:1:	4:	3:4:1:	C-3:C-3:Cl-1:Cl-1:	C-4:	C[5a]-3:C-4:O-1:	C(CC[5a]O)(CC[6a]O)(Cl)2	Cl(CClCC)	C(C[5a]C[5a]N[5a])(CCl2C)(O)	C(CC[5a]O)(CC[6a]O)(Cl)2	Cl(CClCC)	C(C[5a]C[5a]N[5a])(CCl2C)(O)	108.6955	2.051	2	108.6955	4.208	2	108.6955	4.208	2	108.7233	1.958	7	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:3:1:1:	4:	3:4:1:	C-3:C-3:Cl-1:Cl-1:	C-4:	C[6a]-3:C-4:O-1:	C(CC[5a]O)(CC[6a]O)(Cl)2	Cl(CClCC)	C(C[6a]C[6a]2)(CCl2C)(O)	C(CC[5a]O)(CC[6a]O)(Cl)2	Cl(CClCC)	C(C[6a]C[6a]2)(CCl2C)(O)	108.3175	2.344	2	108.3175	5.495	2	108.3175	5.495	2	108.7233	1.958	7	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:3:1:1:	4:	3:4:1:	C-3:C-3:Cl-1:Cl-1:	C-4:	N[6]-3:C-4:O-1:	C(CN[6]O)(CCO)(Cl)2	Cl(CClCC)	C(N[6]C[6]2)(CCl2C)(O)	C(CN[6]O)(CCO)(Cl)2	Cl(CClCC)	C(N[6]C[6]2)(CCl2C)(O)	108.5680	0.526	2	108.5680	0.277	2	108.5680	0.277	2	108.7233	1.958	7	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:3:1:1:	4:	3:4:1:	C[6a]-3:C-3:Cl-1:H-1:	C-4:	C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(Cl)(H)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]ClH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(Cl)(H)	Cl(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]ClH)(O)	109.9010	0.000	1	109.9010	0.000	1	109.9010	0.000	1	108.7233	1.958	7	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:3:1:1:	4:	4:3:1:	C-3:C-3:Cl-1:Cl-1:	C-4:	C-4:N-3:O-1:	C(CNO)2(Cl)2	Cl(CClCC)	C(CCl2C)(NCH)(O)	C(CNO)2(Cl)2	Cl(CClCC)	C(CCl2C)(NCH)(O)	108.6217	3.490	4	108.6217	12.178	4	108.6217	12.178	4	108.9695	8.325	13	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:3:1:1:	4:	4:3:1:	C[6a]-3:C-3:Cl-1:H-1:	C-4:	C-4:C-3:O-1:	C(C[6a]C[6a]2)(CCO)(Cl)(H)	Cl(CC[6a]CH)	C(CC[6a]ClH)(CNO)(O)	C(C[6a]C[6a]2)(CCO)(Cl)(H)	Cl(CC[6a]CH)	C(CC[6a]ClH)(CNO)(O)	106.9783	0.843	4	106.9783	0.710	4	106.9783	0.710	4	108.9695	8.325	13	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:3:1:1:	4:	4:3:1:	C[6a]-3:C-3:Cl-1:H-1:	C-4:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(Cl)(H)	Cl(CC[6a]CH)	C(CC[6a]ClH)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(Cl)(H)	Cl(CC[6a]CH)	C(CC[6a]ClH)(NC[6a]C)(O)	107.2970	0.000	1	107.2970	0.000	1	110.8406	6.845	5	108.9695	8.325	13	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:3:1:1:	4:	4:3:1:	C[6a]-3:C-3:Cl-1:H-1:	C-4:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(Cl)(H)	Cl(CC[6a]CH)	C(CC[6a]ClH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(Cl)(H)	Cl(CC[6a]CH)	C(CC[6a]ClH)(NC[6a]H)(O)	111.7265	1.974	4	111.7265	3.895	4	110.8406	6.845	5	108.9695	8.325	13	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:3:1:1:	4:	4:4:1:	C-3:C-3:Cl-1:Cl-1:	C-4:	C-4:C-4:O-1:	C(CN[6]O)(CCO)(Cl)2	Cl(CClCC)	C(CCl2C)(CH3)(O)	C(CN[6]O)(CCO)(Cl)2	Cl(CClCC)	C(CCl2C)(CH3)(O)	107.3200	5.392	2	107.3200	29.078	2	107.3200	29.078	2	107.3200	29.078	2	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:3:3:1:	4:	2:4:3:	C-3:N-3:N-3:Cl-1:	C-4:	N-2:C-4:N-3:	C(CNN)(NOO)2(Cl)	Cl(CCNN)	C(NN[5a])(CClNN)(NHH)	C(CNN)(NOO)2(Cl)	Cl(CCNN)	C(NN[5a])(CClNN)(NHH)	113.3600	0.000	1	113.3600	0.000	1	113.3600	0.000	1	113.3600	0.000	1	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:3:3:1:	4:	4:2:1:	C-3:N-3:N-3:Cl-1:	C-4:	C-4:N-2:N-1:	C(CNN)(NOO)2(Cl)	Cl(CCNN)	C(CClNN)(NC)(N)	C(CNN)(NOO)2(Cl)	Cl(CCNN)	C(CClNN)(NC)(N)	114.8850	0.000	1	114.8850	0.000	1	114.8850	0.000	1	114.8850	0.000	1	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:3:3:1:	4:	4:2:2:	C-3:N-3:N-3:Cl-1:	C-4:	C-4:N-2:N-2:	C(CNN)(NOO)2(Cl)	Cl(CCNN)	C(CClNN)(NCl)(NN)	C(CNN)(NOO)2(Cl)	Cl(CCNN)	C(CClNN)(NCl)(NN)	113.1710	0.981	2	113.1710	0.963	2	113.1710	0.963	2	113.1710	0.963	2	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:3:3:1:	4:	4:3:2:	C-3:N-3:N-3:Cl-1:	C-4:	C-4:N-3:N-2:	C(CNN)(NOO)2(Cl)	Cl(CCNN)	C(CClNN)(NCH)(NCl)	C(CNN)(NOO)2(Cl)	Cl(CCNN)	C(CClNN)(NCH)(NCl)	115.0640	0.000	1	115.0640	0.000	1	114.1990	1.496	2	114.1990	1.496	2	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:3:3:1:	4:	4:3:2:	C-3:N-3:N-3:Cl-1:	C-4:	C-4:N-3:N-2:	C(CNN)(NOO)2(Cl)	Cl(CCNN)	C(CClNN)(NHH)(NCl)	C(CNN)(NOO)2(Cl)	Cl(CCNN)	C(CClNN)(NHH)(NCl)	113.3340	0.000	1	113.3340	0.000	1	114.1990	1.496	2	114.1990	1.496	2	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:3:4:1:	4:	3:2:4:	C-3:C-3:C-4:Cl-1:	C-4:	C[6a]-3:N-2:C-4:	C(CC[6a]N)2(CH3)(Cl)	Cl(CC3)	C(C[6a]C[6a]2)(NC[6a])(CClCC)	C(CC[6a]N)2(CH3)(Cl)	Cl(CC3)	C(C[6a]C[6a]2)(NC[6a])(CClCC)	110.9030	0.161	2	110.9030	0.026	2	110.9030	0.026	2	110.9030	0.026	2	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:3:4:1:	4:	3:4:2:	C-3:C-3:C-4:Cl-1:	C-4:	C[6a]-3:C-4:N-2:	C(CC[6a]N)2(CH3)(Cl)	Cl(CC3)	C(C[6a]C[6a]2)(CClCC)(NTi)	C(CC[6a]N)2(CH3)(Cl)	Cl(CC3)	C(C[6a]C[6a]2)(CClCC)(NTi)	104.6085	1.265	2	104.6085	1.600	2	104.6085	1.600	2	104.6085	1.600	2	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:4:1:1:	4:	3:4:1:	C-3:C-4:Cl-1:Cl-1:	C-4:	C[5a]-3:C-4:O-1:	C(CC[5a]O)(CCCO)(Cl)2	Cl(CClCC)	C(C[5a]C[5a,6a]C[5a])(CCl2C)(O)	C(CC[5a]O)(CCCO)(Cl)2	Cl(CClCC)	C(C[5a]C[5a,6a]C[5a])(CCl2C)(O)	108.5950	2.485	2	108.5950	6.174	2	108.5950	6.174	2	107.0043	8.502	6	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:4:1:1:	4:	3:4:1:	C-3:C-4:Cl-1:Cl-1:	C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(CCHH)(Cl)2	Cl(CClCC)	C(C[6a]C[6a]2)(CCl2C)(O)	C(CC[6a]O)(CCHH)(Cl)2	Cl(CClCC)	C(C[6a]C[6a]2)(CCl2C)(O)	106.9700	5.141	2	106.9700	26.426	2	106.9700	26.426	2	107.0043	8.502	6	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:4:1:1:	4:	3:4:1:	C-3:C-4:Cl-1:H-1:	C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(CCHN)(Cl)(H)	Cl(CCCH)	C(C[6a]C[6a]2)(CClCH)(O)	C(CC[6a]O)(CCHN)(Cl)(H)	Cl(CCCH)	C(C[6a]C[6a]2)(CClCH)(O)	105.4060	0.000	1	105.4060	0.000	1	105.4480	0.004	2	107.0043	8.502	6	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	3:4:1:1:	4:	3:4:1:	C-3:C-4:Cl-1:H-1:	C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(CClCH)(Cl)(H)	Cl(CCCH)	C(C[6a]C[6a]2)(CClCH)(O)	C(CC[6a]O)(CClCH)(Cl)(H)	Cl(CCCH)	C(C[6a]C[6a]2)(CClCH)(O)	105.4900	0.000	1	105.4900	0.000	1	105.4480	0.004	2	107.0043	8.502	6	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	3:4:1:	C-4:C-3:Cl-1:Cl-1:	C-4:	C[5a]-3:C-4:O-1:	C(CC[6a]HO)(CC[5a]O)(Cl)2	Cl(CClCC)	C(C[5a]C[5a,6a]C[5a])(CCl2C)(O)	C(CC[6a]HO)(CC[5a]O)(Cl)2	Cl(CClCC)	C(C[5a]C[5a,6a]C[5a])(CCl2C)(O)	109.8512	0.986	4	109.8512	0.972	4	109.3226	3.481	10	108.0394	4.396	31	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	3:4:1:	C-4:C-3:Cl-1:Cl-1:	C-4:	C[5a]-3:C-4:O-1:	C(CC[6a]HO)(CC[5a]O)(Cl)2	Cl(CClCC)	C(C[5a]C[5a]N[5a])(CCl2C)(O)	C(CC[6a]HO)(CC[5a]O)(Cl)2	Cl(CClCC)	C(C[5a]C[5a]N[5a])(CCl2C)(O)	108.9702	2.304	6	108.9702	5.309	6	109.3226	3.481	10	108.0394	4.396	31	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	3:4:1:	C-4:C-3:Cl-1:Cl-1:	C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]HN)(CC[6a]O)(Cl)2	Cl(CClCC)	C(C[6a]C[6a]2)(CCl2C)(O)	C(CC[6a]HN)(CC[6a]O)(Cl)2	Cl(CClCC)	C(C[6a]C[6a]2)(CCl2C)(O)	107.0935	1.671	2	107.0935	2.792	2	108.5221	3.858	8	108.0394	4.396	31	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	3:4:1:	C-4:C-3:Cl-1:Cl-1:	C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]HO)(CC[6a]O)(Cl)2	Cl(CClCC)	C(C[6a]C[6a]2)(CCl2C)(O)	C(CC[6a]HO)(CC[6a]O)(Cl)2	Cl(CClCC)	C(C[6a]C[6a]2)(CCl2C)(O)	108.9983	1.938	6	108.9983	3.754	6	108.5221	3.858	8	108.0394	4.396	31	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	3:4:1:	C-4:C-3:Cl-1:H-1:	C-4:	C[5a]-3:C-4:O-1:	C(CC[6a]CH)(CC[5a]O)(Cl)(H)	Cl(CCCH)	C(C[5a]N[5a]2)(CClCH)(O)	C(CC[6a]CH)(CC[5a]O)(Cl)(H)	Cl(CCCH)	C(C[5a]N[5a]2)(CClCH)(O)	108.2440	0.000	1	108.2440	0.000	1	108.2440	0.000	1	108.0394	4.396	31	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	3:4:1:	C-4:C-3:Cl-1:H-1:	C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]HN)(CC[6a]O)(Cl)(H)	Cl(CCCH)	C(C[6a]C[6a]2)(CClCH)(O)	C(CC[6a]HN)(CC[6a]O)(Cl)(H)	Cl(CCCH)	C(C[6a]C[6a]2)(CClCH)(O)	104.3140	0.000	1	104.3140	0.000	1	104.2180	0.018	2	108.0394	4.396	31	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	3:4:1:	C-4:C-3:Cl-1:H-1:	C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]HS)(CC[6a]O)(Cl)(H)	Cl(CCCH)	C(C[6a]C[6a]2)(CClCH)(O)	C(CC[6a]HS)(CC[6a]O)(Cl)(H)	Cl(CCCH)	C(C[6a]C[6a]2)(CClCH)(O)	104.1220	0.000	1	104.1220	0.000	1	104.2180	0.018	2	108.0394	4.396	31	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	3:4:1:	C-4:C-3:Cl-1:H-1:	C-4:	N-3:C-4:O-1:	C(CCHH)(CNO)(Cl)(H)	Cl(CCCH)	C(NC[6]H)(CClCH)(O)	C(CCHH)(CNO)(Cl)(H)	Cl(CCCH)	C(NC[6]H)(CClCH)(O)	108.0470	0.000	1	108.0470	0.000	1	106.4552	3.011	4	108.0394	4.396	31	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	3:4:1:	C-4:C-3:Cl-1:H-1:	C-4:	N-3:C-4:O-1:	C(CC[6a]BrH)(CNO)(Cl)(H)	Cl(CCCH)	C(NC[6a]H)(CClCH)(O)	C(CC[6a]BrH)(CNO)(Cl)(H)	Cl(CCCH)	C(NC[6a]H)(CClCH)(O)	104.9755	0.500	2	104.9755	0.250	2	106.4552	3.011	4	108.0394	4.396	31	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	3:4:1:	C-4:C-3:Cl-1:H-1:	C-4:	N-3:C-4:O-1:	C(CC[6a]HO)(CNO)(Cl)(H)	Cl(CCCH)	C(NC[6a]C)(CClCH)(O)	C(CC[6a]HO)(CNO)(Cl)(H)	Cl(CCCH)	C(NC[6a]C)(CClCH)(O)	107.8230	0.000	1	107.8230	0.000	1	106.4552	3.011	4	108.0394	4.396	31	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	3:4:1:	C-4:C-3:Cl-1:H-1:	C-4:	N[5]-3:C-4:O-1:	C(CC[6]HN)(CN[5]O)(Cl)(H)	Cl(CCCH)	C(N[5]C[5,6a]C[5])(CClCH)(O)	C(CC[6]HN)(CN[5]O)(Cl)(H)	Cl(CCCH)	C(N[5]C[5,6a]C[5])(CClCH)(O)	108.1235	0.825	2	108.1235	0.681	2	107.5530	1.091	6	108.0394	4.396	31	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	3:4:1:	C-4:C-3:Cl-1:H-1:	C-4:	N[5]-3:C-4:O-1:	C(CC[6a]HN)(CN[5]O)(Cl)(H)	Cl(CCCH)	C(N[5]C[5,6a]C[5])(CClCH)(O)	C(CC[6a]HN)(CN[5]O)(Cl)(H)	Cl(CCCH)	C(N[5]C[5,6a]C[5])(CClCH)(O)	107.2678	1.125	4	107.2678	1.266	4	107.5530	1.091	6	108.0394	4.396	31	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:1:1:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:Cl-1:H-1:	C(CClHH)(CClH)(Cl)(H)	Cl(CCCH)	C(CClCH)(Cl)(H)	C(CClHH)(CClH)(Cl)(H)	Cl(CCCH)	C(CClCH)(Cl)(H)	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	107.8127	0.986	4	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:1:1:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:O-1:O-1:	C(CCHH)(COO)(Cl)(H)	Cl(CCCH)	C(CClCH)(O)2	C(CCHH)(COO)(Cl)(H)	Cl(CCCH)	C(CClCH)(O)2	107.8310	1.215	3	107.8310	1.477	3	107.8310	1.477	3	107.8127	0.986	4	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:2:1:	C-4:C-3:Cl-1:F-1:	C-4:	C-4:O-2:O-1:	C(CC[6a]HO)(COO)(Cl)(F)	Cl(CCCF)	C(CClCF)(OC[6])(O)	C(CC[6a]HO)(COO)(Cl)(F)	Cl(CCCF)	C(CClCF)(OC[6])(O)	106.3330	0.000	1	106.3330	0.000	1	106.3330	0.000	1	106.3953	7.453	13	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:2:1:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:N-2:O-1:	C(CCHH)(CNO)(Cl)(H)	Cl(CCCH)	C(CClCH)(NC[6])(O)	C(CCHH)(CNO)(Cl)(H)	Cl(CCCH)	C(CClCH)(NC[6])(O)	107.6270	0.000	1	107.6270	0.000	1	107.6270	0.000	1	106.3953	7.453	13	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:2:1:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:O-2:O-1:	C(CCHH)(COO)(Cl)(H)	Cl(CCCH)	C(CClCH)(OH)(O)	C(CCHH)(COO)(Cl)(H)	Cl(CCCH)	C(CClCH)(OH)(O)	104.6180	0.000	1	104.6180	0.000	1	105.8366	5.046	9	106.3953	7.453	13	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:2:1:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:O-2:O-1:	C(CCHO)(COO)(Cl)(H)	Cl(CCCH)	C(CClCH)(OC)(O)	C(CCHO)(COO)(Cl)(H)	Cl(CCCH)	C(CClCH)(OC)(O)	104.4276	0.693	5	104.4276	0.481	5	105.8366	5.046	9	106.3953	7.453	13	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:2:1:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:O-2:O-1:	C(CH3)(COO)(Cl)(H)	Cl(CCCH)	C(CClCH)(OC)(O)	C(CH3)(COO)(Cl)(H)	Cl(CCCH)	C(CClCH)(OC)(O)	107.5780	0.000	1	107.5780	0.000	1	105.8366	5.046	9	106.3953	7.453	13	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:2:1:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:O-2:O-1:	C(CH3)(COO)(Cl)(H)	Cl(CCCH)	C(CClCH)(OC[6])(O)	C(CH3)(COO)(Cl)(H)	Cl(CCCH)	C(CClCH)(OC[6])(O)	109.0975	1.654	2	109.0975	2.735	2	105.8366	5.046	9	106.3953	7.453	13	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:2:1:	C[6]-4:C-3:Cl-1:Cl-1:	C-4:	C-4:S-2:O-1:	C(C[6]C[6,6a]C[6]H)(COS)(Cl)2	Cl(CC[6]ClC)	C(CC[6]Cl2)(SC)(O)	C(C[6]C[6,6a]C[6]H)(COS)(Cl)2	Cl(CC[6]ClC)	C(CC[6]Cl2)(SC)(O)	108.3250	6.107	2	108.3250	37.290	2	108.3250	37.290	2	106.3953	7.453	13	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:3:1:	C-4:C-3:Cl-1:Cl-1:	C-4:	C-4:C-3:Cl-1:	C(CCl2C)(CClC)(Cl)2	Cl(CClCC)	C(CCl2C)(CCl2)(Cl)	C(CCl2C)(CClC)(Cl)2	Cl(CClCC)	C(CCl2C)(CCl2)(Cl)	110.5725	1.581	4	110.5725	2.499	4	110.5725	2.499	4	109.5061	8.220	17	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:3:1:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:C-3:H-1:	C(CCHN)(CCH)(Cl)(H)	Cl(CCCH)	C(CClCH)(CCH)(H)	C(CCHN)(CCH)(Cl)(H)	Cl(CCCH)	C(CClCH)(CCH)(H)	110.8490	0.000	1	110.8490	0.000	1	110.3387	1.365	3	109.5061	8.220	17	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:3:1:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:C-3:H-1:	C(CCHO)(CCH)(Cl)(H)	Cl(CCCH)	C(CClCH)(CCH)(H)	C(CCHO)(CCH)(Cl)(H)	Cl(CCCH)	C(CClCH)(CCH)(H)	109.0020	0.000	1	109.0020	0.000	1	110.3387	1.365	3	109.5061	8.220	17	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:3:1:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:C-3:H-1:	C(CC[6a]HN)(CCH)(Cl)(H)	Cl(CCCH)	C(CClCH)(CCH)(H)	C(CC[6a]HN)(CCH)(Cl)(H)	Cl(CCCH)	C(CClCH)(CCH)(H)	111.1650	0.000	1	111.1650	0.000	1	110.3387	1.365	3	109.5061	8.220	17	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:3:1:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:C-3:O-1:	C(CC[6a]ClH)(CCO)(Cl)(H)	Cl(CCCH)	C(CClCH)(COO)(O)	C(CC[6a]ClH)(CCO)(Cl)(H)	Cl(CCCH)	C(CClCH)(COO)(O)	102.4490	0.000	1	102.4490	0.000	1	102.4490	0.000	1	109.5061	8.220	17	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:3:1:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:N-3:O-1:	C(CCHH)(CNO)(Cl)(H)	Cl(CCCH)	C(CClCH)(NCC)(O)	C(CCHH)(CNO)(Cl)(H)	Cl(CCCH)	C(CClCH)(NCC)(O)	108.0950	0.000	1	108.0950	0.000	1	107.7225	1.441	4	109.5061	8.220	17	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:3:1:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:N-3:O-1:	C(CCHH)(CNO)(Cl)(H)	Cl(CCCH)	C(CClCH)(NCH)(O)	C(CCHH)(CNO)(Cl)(H)	Cl(CCCH)	C(CClCH)(NCH)(O)	108.9130	0.000	1	108.9130	0.000	1	107.7225	1.441	4	109.5061	8.220	17	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:3:1:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:N-3:O-1:	C(CC[6a]BrH)(CNO)(Cl)(H)	Cl(CCCH)	C(CClCH)(NCC)(O)	C(CC[6a]BrH)(CNO)(Cl)(H)	Cl(CCCH)	C(CClCH)(NCC)(O)	106.0620	0.000	1	106.0620	0.000	1	107.7225	1.441	4	109.5061	8.220	17	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:3:1:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:N-3:O-1:	C(CH3)(CNO)(Cl)(H)	Cl(CCCH)	C(CClCH)(NCH)(O)	C(CH3)(CNO)(Cl)(H)	Cl(CCCH)	C(CClCH)(NCH)(O)	107.8200	0.000	1	107.8200	0.000	1	107.7225	1.441	4	109.5061	8.220	17	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:3:1:	C[6]-4:C-3:Cl-1:H-1:	C-4:	C-4:C-3:H-1:	C(C[6]C[6,6]C[6]H)(CCH)(Cl)(H)	Cl(CC[6]CH)	C(CC[6]ClH)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CCH)(Cl)(H)	Cl(CC[6]CH)	C(CC[6]ClH)(CC[6]H)(H)	108.2750	0.000	1	108.2750	0.000	1	108.2750	0.000	1	109.5061	8.220	17	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:3:1:	S-4:C-3:Cl-1:Cl-1:	C-4:	C-4:C-3:H-1:	C(SC[6a]OO)(CCH)(Cl)2	Cl(CClCS)	C(CCl2S)(CHH)(H)	C(SC[6a]OO)(CCH)(Cl)2	Cl(CClCS)	C(CCl2S)(CHH)(H)	111.6710	3.030	4	111.6710	9.184	4	111.6710	9.184	4	109.5061	8.220	17	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:3:4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:C-3:C-4:	C(CCHH)(CCC)(Cl)(H)	Cl(CCCH)	C(CClCH)(CClH)(CH3)	C(CCHH)(CCC)(Cl)(H)	Cl(CCCH)	C(CClCH)(CClH)(CH3)	108.3180	0.000	1	108.3180	0.000	1	108.3180	0.000	1	108.3180	0.000	1	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:4:1:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:C-4:O-1:	C(CCFF)(CCO)(Cl)(H)	Cl(CCCH)	C(CClCH)(CCHH)(O)	C(CCFF)(CCO)(Cl)(H)	Cl(CCCH)	C(CClCH)(CCHH)(O)	105.8935	0.452	2	105.8935	0.204	2	106.6270	0.886	4	106.6270	0.886	4	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:1:1:	4:	4:4:1:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:C-4:O-1:	C(CCHH)(CCO)(Cl)(H)	Cl(CCCH)	C(CClCH)(CCHH)(O)	C(CCHH)(CCO)(Cl)(H)	Cl(CCCH)	C(CClCH)(CCHH)(O)	107.3605	0.549	2	107.3605	0.302	2	106.6270	0.886	4	106.6270	0.886	4	110.4072	7.745	944	110.4072	7.745	944
490	790	930	0:SP3_SP-NON_SP2	C	Cl	C	4:3:3:1:	4:	4:2:1:	C-4:C-3:C-3:Cl-1:	C-4:	C-4:O-2:O-1:	C(CCHH)(COO)2(Cl)	Cl(CC3)	C(CClCC)(OC)(O)	C(CCHH)(COO)2(Cl)	Cl(CC3)	C(CClCC)(OC)(O)	107.2985	1.821	4	107.2985	3.314	4	107.2985	3.314	4	107.2985	3.314	4	110.4072	7.745	944	110.4072	7.745	944
490	790	931	0:SP3_SP-NON_SPD5	C	Cl	Si[5]	5:1:1:1:	4:	4:2:4:4:1:	Si[5]-5:Cl-1:H-1:H-1:	C-4:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	C(Si[5]C[5]O[5]ClC)(Cl)(H)2	Cl(CSi[5]HH)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl)	C(Si[5]C[5]O[5]ClC)(Cl)(H)2	Cl(CSi[5]HH)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl){2|C<3>}	110.4820	0.300	2	110.4820	0.090	2	110.4820	0.090	2	110.8530	0.458	3	112.2188	5.145	5	112.2188	5.145	5
490	790	931	0:SP3_SP-NON_SPD5	C	Cl	Si[5]	5:1:1:1:	4:	4:2:4:4:1:	Si[5]-5:Cl-1:H-1:H-1:	C-4:	C[5]-4:O[5]-2:C-4:C-4:F-1:	C(Si[5]C[5]O[5]CF)(Cl)(H)2	Cl(CSi[5]HH)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F)	C(Si[5]C[5]O[5]CF)(Cl)(H)2	Cl(CSi[5]HH)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F){2|C<3>}	111.5950	0.000	1	111.5950	0.000	1	111.5950	0.000	1	110.8530	0.458	3	112.2188	5.145	5	112.2188	5.145	5
490	790	931	0:SP3_SP-NON_SPD5	C	Cl	Si[5]	5:1:1:1:	4:	4:2:4:4:3:	Si[5]-5:Cl-1:H-1:H-1:	C-4:	C[5]-4:O[5]-2:C-4:C-4:O-3:	C(Si[5]C[5]O[5]CO)(Cl)(H)2	Cl(CSi[5]HH)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	C(Si[5]C[5]O[5]CO)(Cl)(H)2	Cl(CSi[5]HH)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	114.2675	2.382	2	114.2675	5.675	2	114.2675	5.675	2	114.2675	5.675	2	112.2188	5.145	5	112.2188	5.145	5
490	790	941	0:SP3_SP-NON_SP2	C	Cl	N	4:2:1:1:	4:	4:2:	C-4:N-2:Cl-1:Cl-1:	C-4:	C-4:N-2:	C(CCl2N)(NN)(Cl)2	Cl(CClCN)	N(CCl2C)(NC)	C(CCl2N)(NN)(Cl)2	Cl(CClCN)	N(CCl2C)(NC)	110.1250	6.073	2	110.1250	36.877	2	110.1250	36.877	2	110.1250	36.877	2	110.1250	36.877	2	110.1250	36.877	2
490	790	944	0:SP3_SP-NON_SP-NON	C	Cl	I	1:1:1:1:	4:	4:	Cl-1:H-1:H-1:I-1:	C-4:	C-4:	C(Cl)(H)2(I)	Cl(CHHI)	I(CClHH)	C(Cl)(H)2(I)	Cl(CHHI)	I(CClHH)	113.3350	1.169	5	113.3350	1.366	5	113.3350	1.366	5	113.3350	1.366	5	113.3350	1.366	5	113.3350	1.366	5
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	1:1:1:1:	4:	4:	Cl-1:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(Cl)3(H)	Cl(CCl2H)	H(CCl3)	C(Cl)3(H)	Cl(CCl2H)	H(CCl3)	108.4414	1.618	8441	108.4414	2.618	8441	108.4414	2.618	8441	108.9104	1.738	31358	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	1:1:1:1:	4:	4:	Cl-1:Cl-1:H-1:H-1:	C-4:	C-4:	C(Cl)2(H)2	Cl(CClHH)	H(CCl2H)	C(Cl)2(H)2	Cl(CClHH)	H(CCl2H)	109.0834	1.141	22904	109.0834	1.301	22904	109.0834	1.301	22904	108.9104	1.738	31358	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	1:1:1:1:	4:	4:	Cl-1:H-1:H-1:H-1:	C-4:	C-4:	C(Cl)(H)3	Cl(CH3)	H(CClHH)	C(Cl)(H)3	Cl(CH3)	H(CClHH)	109.4793	0.026	6	109.4793	0.001	6	109.4793	0.001	6	108.9104	1.738	31358	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	1:1:1:1:	4:	4:	Cl-1:H-1:H-1:I-1:	C-4:	C-4:	C(Cl)(H)2(I)	Cl(CHHI)	H(CClHI)	C(Cl)(H)2(I)	Cl(CHHI)	H(CClHI)	108.1071	2.607	7	108.1071	6.798	7	108.1071	6.798	7	108.9104	1.738	31358	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	2:1:1:1:	4:	4:	C-2:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CN)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	109.0980	10.026	16	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	2:1:1:1:	4:	4:	Cl-2:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(ClC)(Cl)2(H)	Cl(CCl2H)	H(CCl3)	C(ClC)(Cl)2(H)	Cl(CCl2H)	H(CCl3)	103.5055	0.112	2	103.5055	0.013	2	109.2795	44.457	4	109.0980	10.026	16	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	2:1:1:1:	4:	4:	Cl-2:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(ClH)(Cl)2(H)	Cl(CCl2H)	H(CCl3)	C(ClH)(Cl)2(H)	Cl(CCl2H)	H(CCl3)	115.0535	0.037	2	115.0535	0.001	2	109.2795	44.457	4	109.0980	10.026	16	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	2:1:1:1:	4:	4:	Cl-2:Cl-1:H-1:H-1:	C-4:	C-4:	C(ClCl)(Cl)(H)2	Cl(CClHH)	H(CCl2H)	C(ClCl)(Cl)(H)2	Cl(CClHH)	H(CCl2H)	110.0605	1.719	2	110.0605	2.955	2	108.9193	2.278	8	109.0980	10.026	16	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	2:1:1:1:	4:	4:	Cl-2:Cl-1:H-1:H-1:	C-4:	C-4:	C(ClIr)(Cl)(H)2	Cl(CClHH)	H(CCl2H)	C(ClIr)(Cl)(H)2	Cl(CClHH)	H(CCl2H)	109.3680	0.355	2	109.3680	0.126	2	108.9193	2.278	8	109.0980	10.026	16	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	2:1:1:1:	4:	4:	Cl-2:Cl-1:H-1:H-1:	C-4:	C-4:	C(ClLi)(Cl)(H)2	Cl(CClHH)	H(CCl2H)	C(ClLi)(Cl)(H)2	Cl(CClHH)	H(CCl2H)	109.4775	0.030	2	109.4775	0.001	2	108.9193	2.278	8	109.0980	10.026	16	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	2:1:1:1:	4:	4:	Cl-2:Cl-1:H-1:H-1:	C-4:	C-4:	C(ClRu)(Cl)(H)2	Cl(CClHH)	H(CCl2H)	C(ClRu)(Cl)(H)2	Cl(CClHH)	H(CCl2H)	106.7710	0.042	2	106.7710	0.002	2	108.9193	2.278	8	109.0980	10.026	16	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	2:1:1:1:	4:	4:	O-2:Cl-1:H-1:H-1:	C-4:	C-4:	C(OC)(Cl)(H)2	Cl(CHHO)	H(CClHO)	C(OC)(Cl)(H)2	Cl(CHHO)	H(CClHO)	109.4825	0.076	2	109.4825	0.006	2	109.4825	0.006	2	109.0980	10.026	16	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	2:1:1:1:	4:	4:	S-2:Cl-1:H-1:H-1:	C-4:	C-4:	C(SC[6a])(Cl)(H)2	Cl(CHHS)	H(CClHS)	C(SC[6a])(Cl)(H)2	Cl(CHHS)	H(CClHS)	108.6290	0.000	1	108.6290	0.000	1	108.6290	0.000	1	109.0980	10.026	16	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CCN)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(CCN)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	107.7830	0.577	2	107.7830	0.333	2	108.4024	6.780	122	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CCO)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(CCO)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	106.7295	0.260	2	106.7295	0.067	2	108.4024	6.780	122	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CC[5a]O)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(CC[5a]O)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	109.3243	0.055	3	109.3243	0.003	3	108.4024	6.780	122	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]O)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(CC[6a]O)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	108.9260	0.000	1	108.9260	0.000	1	108.4024	6.780	122	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CNO)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(CNO)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	108.4751	3.339	33	108.4751	11.150	33	108.4024	6.780	122	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CN[5]O)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(CN[5]O)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	109.3438	0.283	4	109.3438	0.080	4	108.4024	6.780	122	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CN[6]O)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(CN[6]O)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	109.4524	1.032	23	109.4524	1.064	23	108.4024	6.780	122	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(COO)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(COO)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	107.8649	2.698	54	107.8649	7.277	54	108.4024	6.780	122	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCC)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CCC)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.6720	0.431	3	109.6720	0.185	3	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CCH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	108.7646	0.628	7	108.7646	0.394	7	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCN)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CCN)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.3680	0.004	2	109.3680	0.000	2	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CCO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.0440	0.789	33	109.0440	0.622	33	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[4]O)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CC[4]O)(Cl)(H)2	Cl(CCHH)	H(CClCH)	108.7460	0.008	2	108.7460	0.000	2	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[5]O)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CC[5]O)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.0454	0.288	10	109.0454	0.083	10	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[5a]O)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CC[5a]O)(Cl)(H)2	Cl(CCHH)	H(CClCH)	108.8740	0.030	2	108.8740	0.001	2	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[6]O)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CC[6]O)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.1860	0.031	2	109.1860	0.001	2	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]C)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CC[6a]C)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.5907	0.135	9	109.5907	0.018	9	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]N)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CC[6a]N)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.7125	0.088	4	109.7125	0.008	4	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]O)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CC[6a]O)(Cl)(H)2	Cl(CCHH)	H(CClCH)	108.9920	0.282	26	108.9920	0.080	26	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CClH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CClH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	110.5630	2.335	2	110.5630	5.452	2	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CHH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CHH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	111.8852	3.304	4	111.8852	10.918	4	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CMoN)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CMoN)(Cl)(H)2	Cl(CCHH)	H(CClCH)	108.6890	0.013	2	108.6890	0.000	2	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CNO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CNO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	108.9900	0.838	143	108.9900	0.703	143	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[5]O)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CN[5]O)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.2960	0.031	2	109.2960	0.001	2	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]O)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CN[5a]O)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.3620	0.020	2	109.3620	0.000	2	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[6]O)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CN[6]O)(Cl)(H)2	Cl(CCHH)	H(CClCH)	108.9650	1.111	58	108.9650	1.234	58	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(COO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(COO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	108.6657	0.611	95	108.6657	0.374	95	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(CRhO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CRhO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	108.9027	0.458	6	108.9027	0.209	6	108.9762	0.791	414	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[5,6]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(Cl)(H)2	Cl(CC[5,6]HH)	H(CC[5,6]ClH)	C(C[5,6]C[5,5,6]C[5,6])(Cl)(H)2	Cl(CC[5,6]HH)	H(CC[5,6]ClH)	109.6443	0.032	3	109.6443	0.001	3	109.6443	0.001	3	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[5]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	C(C[5]C[5]2)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	109.5072	0.148	4	109.5072	0.022	4	109.4170	0.559	25	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[5]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5])(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	C(C[5]C[5]N[5])(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	109.1507	1.425	7	109.1507	2.029	7	109.4170	0.559	25	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[5]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	C(C[5]N[5]2)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	109.5243	0.195	14	109.5243	0.038	14	109.4170	0.559	25	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(Cl)2(H)	Cl(CC[5a]ClH)	H(CC[5a]Cl2)	C(C[5a]N[5a]S[5a])(Cl)2(H)	Cl(CC[5a]ClH)	H(CC[5a]Cl2)	108.4790	0.100	2	108.4790	0.010	2	108.4790	0.010	2	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(Cl)(H)2	Cl(CC[5a]HH)	H(CC[5a]ClH)	C(C[5a]C[5a,6a]N[5a])(Cl)(H)2	Cl(CC[5a]HH)	H(CC[5a]ClH)	109.5833	0.110	6	109.5833	0.012	6	109.4035	0.064	51	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]2)(Cl)(H)2	Cl(CC[5a]HH)	H(CC[5a]ClH)	C(C[5a]C[5a]2)(Cl)(H)2	Cl(CC[5a]HH)	H(CC[5a]ClH)	109.2473	0.032	4	109.2473	0.001	4	109.4035	0.064	51	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]N[5a])(Cl)(H)2	Cl(CC[5a]HH)	H(CC[5a]ClH)	C(C[5a]C[5a]N[5a])(Cl)(H)2	Cl(CC[5a]HH)	H(CC[5a]ClH)	109.1977	0.253	9	109.1977	0.064	9	109.4035	0.064	51	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]O[5a])(Cl)(H)2	Cl(CC[5a]HH)	H(CC[5a]ClH)	C(C[5a]C[5a]O[5a])(Cl)(H)2	Cl(CC[5a]HH)	H(CC[5a]ClH)	109.4560	0.010	2	109.4560	0.000	2	109.4035	0.064	51	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5a]C[5a]S[5a])(Cl)(H)2	Cl(CC[5a]HH)	H(CC[5a]ClH)	C(C[5a]C[5a]S[5a])(Cl)(H)2	Cl(CC[5a]HH)	H(CC[5a]ClH)	109.2840	0.058	2	109.2840	0.003	2	109.4035	0.064	51	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a,6a]N[5a])(Cl)(H)2	Cl(CC[5a]HH)	H(CC[5a]ClH)	C(C[5a]N[5a,6a]N[5a])(Cl)(H)2	Cl(CC[5a]HH)	H(CC[5a]ClH)	109.3125	0.056	4	109.3125	0.003	4	109.4035	0.064	51	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]2)(Cl)(H)2	Cl(CC[5a]HH)	H(CC[5a]ClH)	C(C[5a]N[5a]2)(Cl)(H)2	Cl(CC[5a]HH)	H(CC[5a]ClH)	109.4740	0.164	6	109.4740	0.027	6	109.4035	0.064	51	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]O[5a])(Cl)(H)2	Cl(CC[5a]HH)	H(CC[5a]ClH)	C(C[5a]N[5a]O[5a])(Cl)(H)2	Cl(CC[5a]HH)	H(CC[5a]ClH)	109.4134	0.305	14	109.4134	0.093	14	109.4035	0.064	51	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5a]N[5a]S[5a])(Cl)(H)2	Cl(CC[5a]HH)	H(CC[5a]ClH)	C(C[5a]N[5a]S[5a])(Cl)(H)2	Cl(CC[5a]HH)	H(CC[5a]ClH)	109.7370	0.101	4	109.7370	0.010	4	109.4035	0.064	51	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[6]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6])(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	C(C[6]C[5,6]C[6])(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	109.9350	0.054	2	109.9350	0.003	2	109.3208	0.791	37	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[6]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	C(C[6]C[6]2)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	108.8664	0.990	20	108.8664	0.980	20	109.3208	0.791	37	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[6]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6])(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	C(C[6]C[6]N[6])(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	109.8528	0.273	11	109.8528	0.075	11	109.3208	0.791	37	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[6]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6])(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	C(C[6]C[6]O[6])(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	109.6725	0.008	2	109.6725	0.000	2	109.3208	0.791	37	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[6]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	C(C[6]N[6]2)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	109.9735	0.032	2	109.9735	0.001	2	109.3208	0.791	37	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	Cl(CC[6a]HH)	H(CC[6a]ClH)	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	Cl(CC[6a]HH)	H(CC[6a]ClH)	108.6881	1.858	14	108.6881	3.454	14	108.8367	1.783	137	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	Cl(CC[6a]HH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	Cl(CC[6a]HH)	H(CC[6a]ClH)	108.7913	1.317	111	108.7913	1.735	111	108.8367	1.783	137	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]N[6a])(Cl)(H)2	Cl(CC[6a]HH)	H(CC[6a]ClH)	C(C[6a]C[6a]N[6a])(Cl)(H)2	Cl(CC[6a]HH)	H(CC[6a]ClH)	109.4161	0.463	10	109.4161	0.214	10	108.8367	1.783	137	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]O[6a])(Cl)(H)2	Cl(CC[6a]HH)	H(CC[6a]ClH)	C(C[6a]C[6a]O[6a])(Cl)(H)2	Cl(CC[6a]HH)	H(CC[6a]ClH)	109.4945	0.005	2	109.4945	0.000	2	108.8367	1.783	137	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	N-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]C)(Cl)(H)2	Cl(CHHN)	H(CClHN)	C(NC[6a]C)(Cl)(H)2	Cl(CHHN)	H(CClHN)	108.4535	0.030	2	108.4535	0.001	2	108.4535	0.001	2	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	N[5]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5,6a]C[5])(Cl)(H)2	Cl(CN[5]HH)	H(CN[5]ClH)	C(N[5]C[5,6a]C[5])(Cl)(H)2	Cl(CN[5]HH)	H(CN[5]ClH)	109.2740	0.000	1	109.2740	0.000	1	109.2960	0.001	2	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	N[5]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(N[5]C[5]S[5])(Cl)(H)2	Cl(CN[5]HH)	H(CN[5]ClH)	C(N[5]C[5]S[5])(Cl)(H)2	Cl(CN[5]HH)	H(CN[5]ClH)	109.3180	0.000	1	109.3180	0.000	1	109.2960	0.001	2	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	N[5a]-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(Cl)(H)2	Cl(CN[5a]HH)	H(CN[5a]ClH)	C(N[5a]C[5a,6a]N[5a])(Cl)(H)2	Cl(CN[5a]HH)	H(CN[5a]ClH)	109.3845	0.016	2	109.3845	0.000	2	109.3845	0.000	2	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	S-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(SCC)(Cl)(H)2	Cl(CHHS)	H(CClHS)	C(SCC)(Cl)(H)2	Cl(CHHS)	H(CClHS)	107.4410	0.205	2	107.4410	0.042	2	109.3825	2.513	11	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	S-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]C)(Cl)(H)2	Cl(CHHS)	H(CClHS)	C(SC[6a]C)(Cl)(H)2	Cl(CHHS)	H(CClHS)	109.0920	0.922	3	109.0920	0.850	3	109.3825	2.513	11	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	S-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(SC[6a]O)(Cl)(H)2	Cl(CHHS)	H(CClHS)	C(SC[6a]O)(Cl)(H)2	Cl(CHHS)	H(CClHS)	110.4827	1.888	4	110.4827	3.564	4	109.3825	2.513	11	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:1:1:1:	4:	4:	S-3:Cl-1:H-1:H-1:	C-4:	C-4:	C(SMo2)(Cl)(H)2	Cl(CHHS)	H(CClHS)	C(SMo2)(Cl)(H)2	Cl(CHHS)	H(CClHS)	109.5595	0.019	2	109.5595	0.000	2	109.3825	2.513	11	108.9296	1.889	808	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:Cl-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCO)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	107.2452	1.287	4	107.2452	1.656	4	107.3466	2.258	10	107.3466	2.258	10	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:Cl-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CC[6a]O)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	108.3320	0.000	1	108.3320	0.000	1	107.3466	2.258	10	107.3466	2.258	10	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:3:1:1:	4:	4:	C[6a]-3:C-3:Cl-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CNO)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	107.2306	1.889	5	107.2306	3.568	5	107.3466	2.258	10	107.3466	2.258	10	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:4:1:1:	4:	4:	C-3:C-4:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CCHN)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CC[6a]O)(CCHN)(Cl)(H)	Cl(CCCH)	H(CClCC)	110.1710	0.000	1	110.1710	0.000	1	109.8865	0.162	2	107.7322	3.159	25	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:4:1:1:	4:	4:	C-3:C-4:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]O)(CClCH)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CC[6a]O)(CClCH)(Cl)(H)	Cl(CCCH)	H(CClCC)	109.6020	0.000	1	109.6020	0.000	1	109.8865	0.162	2	107.7322	3.159	25	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	C(C[6a]C[6a,6a]C[6a])(CH3)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	107.7260	0.000	1	107.7260	0.000	1	107.5096	3.258	21	107.7322	3.159	25	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CBrCH)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	108.0850	0.000	1	108.0850	0.000	1	107.5096	3.258	21	107.7322	3.159	25	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCCH)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	103.0950	0.000	1	103.0950	0.000	1	107.5096	3.258	21	107.7322	3.159	25	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCHH)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	107.6830	0.000	1	107.6830	0.000	1	107.5096	3.258	21	107.7322	3.159	25	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	106.9050	3.039	5	106.9050	9.235	5	107.5096	3.258	21	107.7322	3.159	25	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCHO)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	108.0400	0.000	1	108.0400	0.000	1	107.5096	3.258	21	107.7322	3.159	25	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CCOO)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCOO)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	107.3350	0.000	1	107.3350	0.000	1	107.5096	3.258	21	107.7322	3.159	25	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CC[5]HH)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	107.6790	0.000	1	107.6790	0.000	1	107.5096	3.258	21	107.7322	3.159	25	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HO)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CC[6]HO)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	108.6240	0.000	1	108.6240	0.000	1	107.5096	3.258	21	107.7322	3.159	25	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CC[6a]CC)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	106.9800	0.000	1	106.9800	0.000	1	107.5096	3.258	21	107.7322	3.159	25	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CC[6a]CH)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	108.2570	0.041	2	108.2570	0.002	2	107.5096	3.258	21	107.7322	3.159	25	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	108.3393	0.376	3	108.3393	0.141	3	107.5096	3.258	21	107.7322	3.159	25	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CClHP)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CClHP)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	107.8730	0.000	1	107.8730	0.000	1	107.5096	3.258	21	107.7322	3.159	25	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CHHN)(Cl)(H)	Cl(CC[6a]CH)	H(CC[6a]ClC)	108.5250	0.000	1	108.5250	0.000	1	107.5096	3.258	21	107.7322	3.159	25	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:Cl-1:H-1:	C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2O)(Cl)(H)	Cl(CC[6a]C[5]H)	H(CC[6a]C[5]Cl)	C(C[6a]C[6a]2)(C[5]C[5]2O)(Cl)(H)	Cl(CC[6a]C[5]H)	H(CC[6a]C[5]Cl)	107.6900	0.000	1	107.6900	0.000	1	107.6900	0.000	1	107.7322	3.159	25	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	3:4:1:1:	4:	4:	N[5]-3:C-4:Cl-1:H-1:	C-4:	C-4:	C(N[5]C[5]2)(CCHH)(Cl)(H)	Cl(CN[5]CH)	H(CN[5]ClC)	C(N[5]C[5]2)(CCHH)(Cl)(H)	Cl(CN[5]CH)	H(CN[5]ClC)	108.1390	0.000	1	108.1390	0.000	1	108.1390	0.000	1	107.7322	3.159	25	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	B-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(BC[6a]C[5]2)(Cl)(H)2	Cl(CBHH)	H(CClBH)	C(BC[6a]C[5]2)(Cl)(H)2	Cl(CBHH)	H(CClBH)	109.6870	0.000	1	109.6870	0.000	1	109.6870	0.000	1	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CCCO)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(CCCO)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	108.5475	0.021	2	108.5475	0.000	2	108.2934	0.812	157	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CCHH)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(CCHH)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	108.6375	0.233	4	108.6375	0.054	4	108.2934	0.812	157	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CCHO)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(CCHO)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	108.2540	0.016	2	108.2540	0.000	2	108.2934	0.812	157	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]2H)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(CC[6a]2H)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	109.0230	0.011	2	109.0230	0.000	2	108.2934	0.812	157	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(CC[6a]CH)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	107.8951	0.334	8	107.8951	0.111	8	108.2934	0.812	157	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]CO)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(CC[6a]CO)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	108.3565	0.009	2	108.3565	0.000	2	108.2934	0.812	157	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CCl2H)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(CCl2H)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	108.3368	0.850	104	108.3368	0.723	104	108.2934	0.812	157	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CCl2S)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(CCl2S)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	108.3945	0.271	2	108.3945	0.073	2	108.2934	0.812	157	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CCl3)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(CCl3)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	108.1784	1.006	9	108.1784	1.013	9	108.2934	0.812	157	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CClHH)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(CClHH)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	108.2319	1.267	17	108.2319	1.606	17	108.2934	0.812	157	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CH3)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(CH3)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	105.8355	0.549	2	105.8355	0.302	2	108.2934	0.812	157	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(CHNN)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	C(CHNN)(Cl)2(H)	Cl(CClCH)	H(CCl2C)	108.9830	0.399	3	108.9830	0.159	3	108.2934	0.812	157	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CBrCH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CBrCH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.2780	0.000	1	109.2780	0.000	1	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC3)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CC3)(Cl)(H)2	Cl(CCHH)	H(CClCH)	108.8962	0.412	12	108.8962	0.170	12	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCCH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CCCH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	108.6512	1.289	11	108.6512	1.662	11	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCCN)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CCCN)(Cl)(H)2	Cl(CCHH)	H(CClCH)	108.9600	0.065	4	108.9600	0.004	4	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCCO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CCCO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	108.1885	2.334	2	108.1885	5.448	2	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCHH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CCHH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.1801	0.731	196	109.1801	0.535	196	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCHN)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CCHN)(Cl)(H)2	Cl(CCHH)	H(CClCH)	107.6785	2.717	11	107.6785	7.381	11	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCHO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CCHO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	108.3839	1.919	63	108.3839	3.683	63	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[4]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CC[4]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.2970	0.019	4	109.2970	0.000	4	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[5,6,6]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CC[5,6,6]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	110.0655	0.064	2	110.0655	0.004	2	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[5]CO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CC[5]CO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.5025	0.387	4	109.5025	0.150	4	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[5]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CC[5]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.4590	0.028	2	109.4590	0.001	2	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[5]HO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CC[5]HO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.3130	0.008	2	109.3130	0.000	2	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[6]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CC[6]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.3661	0.240	11	109.3661	0.058	11	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[6]HO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CC[6]HO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	105.2295	1.426	2	105.2295	2.034	2	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]CC)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CC[6a]CC)(Cl)(H)2	Cl(CCHH)	H(CClCH)	108.9428	0.031	4	108.9428	0.001	4	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CC[6a]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.3293	0.346	16	109.3293	0.120	16	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CC[6a]HN)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.2972	0.178	4	109.2972	0.032	4	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCl2H)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CCl2H)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.0641	1.048	17	109.0641	1.099	17	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCl3)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CCl3)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.1508	0.182	6	109.1508	0.033	6	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CClCH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CClCH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	107.6161	4.329	13	107.6161	18.738	13	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CClHH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CClHH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.2002	1.289	583	109.2002	1.662	583	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CH3)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CH3)(Cl)(H)2	Cl(CCHH)	H(CClCH)	104.5757	4.367	8	104.5757	19.069	8	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CHHN)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CHHN)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.4032	1.044	143	109.4032	1.089	143	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CHHO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CHHO)(Cl)(H)2	Cl(CCHH)	H(CClCH)	108.8003	2.052	66	108.8003	4.212	66	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CHHS)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CHHS)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.2552	0.254	6	109.2552	0.064	6	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[3x6]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CN[3x6]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	110.2480	0.023	2	110.2480	0.001	2	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[5]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CN[5]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.2393	1.109	6	109.2393	1.230	6	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]CC)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CN[5a]CC)(Cl)(H)2	Cl(CCHH)	H(CClCH)	108.9850	0.013	2	108.9850	0.000	2	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]CH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CN[5a]CH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.7945	0.037	2	109.7945	0.001	2	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[5a]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CN[5a]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.2974	0.332	12	109.2974	0.110	12	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[6]CH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CN[6]CH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	108.9855	0.392	2	108.9855	0.154	2	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[6]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CN[6]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.2222	2.422	26	109.2222	5.866	26	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CN[6a]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CN[6a]HH)(Cl)(H)2	Cl(CCHH)	H(CClCH)	108.0860	3.866	12	108.0860	14.949	12	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(CPdCC)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CPdCC)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.6955	0.060	4	109.6955	0.004	4	109.0816	2.267	1261	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[3,5]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[3,5]C[3,5,6]C[5]O[3])(Cl)2(H)	Cl(CC[3,5]ClH)	H(CC[3,5]Cl2)	C(C[3,5]C[3,5,6]C[5]O[3])(Cl)2(H)	Cl(CC[3,5]ClH)	H(CC[3,5]Cl2)	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[3]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6,6]2H)(Cl)(H)2	Cl(CC[3]HH)	H(CC[3]ClH)	C(C[3]C[3,6,6]2H)(Cl)(H)2	Cl(CC[3]HH)	H(CC[3]ClH)	109.1670	0.000	1	109.1670	0.000	1	109.4563	0.111	6	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[3]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]2H)(Cl)(H)2	Cl(CC[3]HH)	H(CC[3]ClH)	C(C[3]C[3,6]2H)(Cl)(H)2	Cl(CC[3]HH)	H(CC[3]ClH)	109.5605	0.033	2	109.5605	0.001	2	109.4563	0.111	6	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[3]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3,6]C[3]C)(Cl)(H)2	Cl(CC[3]HH)	H(CC[3]ClH)	C(C[3]C[3,6]C[3]C)(Cl)(H)2	Cl(CC[3]HH)	H(CC[3]ClH)	109.7560	0.016	2	109.7560	0.000	2	109.4563	0.111	6	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[3]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[3]C[3]N[3]H)(Cl)(H)2	Cl(CC[3]HH)	H(CC[3]ClH)	C(C[3]C[3]N[3]H)(Cl)(H)2	Cl(CC[3]HH)	H(CC[3]ClH)	108.9380	0.000	1	108.9380	0.000	1	109.4563	0.111	6	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[4]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[4]C[4,4]C[4]H)(Cl)(H)2	Cl(CC[4]HH)	H(CC[4]ClH)	C(C[4]C[4,4]C[4]H)(Cl)(H)2	Cl(CC[4]HH)	H(CC[4]ClH)	108.0839	0.616	8	108.0839	0.380	8	108.0839	0.380	8	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5,5,6]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(Cl)2(H)	Cl(CC[5,5,6]ClH)	H(CC[5,5,6]Cl2)	C(C[5,5,6]C[5,5]C[5,6]2)(Cl)2(H)	Cl(CC[5,5,6]ClH)	H(CC[5,5,6]Cl2)	106.3775	3.135	6	106.3775	9.829	6	106.3775	9.829	6	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5,5]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(Cl)2(H)	Cl(CC[5,5]ClH)	H(CC[5,5]Cl2)	C(C[5,5]C[5,5,6]2C)(Cl)2(H)	Cl(CC[5,5]ClH)	H(CC[5,5]Cl2)	106.4163	2.403	6	106.4163	5.773	6	106.4163	5.773	6	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5,5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(Cl)(H)2	Cl(CC[5,5]HH)	H(CC[5,5]ClH)	C(C[5,5]C[5,5,6]2C)(Cl)(H)2	Cl(CC[5,5]HH)	H(CC[5,5]ClH)	107.5167	2.651	6	107.5167	7.025	6	107.7790	5.254	8	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5,5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5,5]C[5,5]C[5]N[5])(Cl)(H)2	Cl(CC[5,5]HH)	H(CC[5,5]ClH)	C(C[5,5]C[5,5]C[5]N[5])(Cl)(H)2	Cl(CC[5,5]HH)	H(CC[5,5]ClH)	108.5660	0.021	2	108.5660	0.000	2	107.7790	5.254	8	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5,6,6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(Cl)(H)2	Cl(CC[5,6,6]HH)	H(CC[5,6,6]ClH)	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(Cl)(H)2	Cl(CC[5,6,6]HH)	H(CC[5,6,6]ClH)	109.4815	0.021	2	109.4815	0.000	2	109.4815	0.000	2	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5,6]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C[6])(Cl)2(H)	Cl(CC[5,6]ClH)	H(CC[5,6]Cl2)	C(C[5,6]C[5,5,6]C[5,6]C[6])(Cl)2(H)	Cl(CC[5,6]ClH)	H(CC[5,6]Cl2)	105.8212	1.019	4	105.8212	1.038	4	105.8232	0.624	6	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5,6]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(Cl)2(H)	Cl(CC[5,6]ClH)	H(CC[5,6]Cl2)	C(C[5,6]C[5,6]2C[6])(Cl)2(H)	Cl(CC[5,6]ClH)	H(CC[5,6]Cl2)	105.8270	0.081	2	105.8270	0.006	2	105.8232	0.624	6	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5,6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(Cl)(H)2	Cl(CC[5,6]HH)	H(CC[5,6]ClH)	C(C[5,6]C[5,6]C[5]C[6])(Cl)(H)2	Cl(CC[5,6]HH)	H(CC[5,6]ClH)	108.9525	0.019	2	108.9525	0.000	2	107.9432	3.741	5	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5,6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(Cl)(H)2	Cl(CC[5,6]HH)	H(CC[5,6]ClH)	C(C[5,6]C[5,6]C[6]O[5])(Cl)(H)2	Cl(CC[5,6]HH)	H(CC[5,6]ClH)	106.4740	2.786	2	106.4740	7.762	2	107.9432	3.741	5	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5,6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5,6]C[6,6a]N[5,6]O[5])(Cl)(H)2	Cl(CC[5,6]HH)	H(CC[5,6]ClH)	C(C[5,6]C[6,6a]N[5,6]O[5])(Cl)(H)2	Cl(CC[5,6]HH)	H(CC[5,6]ClH)	108.8630	0.000	1	108.8630	0.000	1	107.9432	3.741	5	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2O)(Cl)2(H)	Cl(CC[5]ClH)	H(CC[5]Cl2)	C(C[5]C[5,6a]2O)(Cl)2(H)	Cl(CC[5]ClH)	H(CC[5]Cl2)	107.8945	0.209	6	107.8945	0.044	6	108.2046	0.196	12	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(Cl)2(H)	Cl(CC[5]ClH)	H(CC[5]Cl2)	C(C[5]C[5,6a]C[5]O)(Cl)2(H)	Cl(CC[5]ClH)	H(CC[5]Cl2)	108.1900	0.000	1	108.1900	0.000	1	108.2046	0.196	12	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(Cl)2(H)	Cl(CC[5]ClH)	H(CC[5]Cl2)	C(C[5]C[5]2H)(Cl)2(H)	Cl(CC[5]ClH)	H(CC[5]Cl2)	109.0160	0.008	2	109.0160	0.000	2	108.2046	0.196	12	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(Cl)2(H)	Cl(CC[5]ClH)	H(CC[5]Cl2)	C(C[5]C[5]O[5]C)(Cl)2(H)	Cl(CC[5]ClH)	H(CC[5]Cl2)	108.2887	0.097	3	108.2887	0.009	3	108.2046	0.196	12	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[4,5]C[5]H)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	C(C[5]C[4,5]C[5]H)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	109.4520	0.020	2	109.4520	0.000	2	109.2544	0.334	74	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]C[5]H)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	C(C[5]C[5,5]C[5]H)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	109.7255	0.013	4	109.7255	0.000	4	109.2544	0.334	74	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,5]O[5]H)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	C(C[5]C[5,5]O[5]H)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	109.2240	0.010	2	109.2240	0.000	2	109.2544	0.334	74	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6]C[5]O)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	C(C[5]C[5,6]C[5]O)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	109.5205	0.021	2	109.5205	0.000	2	109.2544	0.334	74	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]2C)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	C(C[5]C[5,6a]2C)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	108.8575	0.005	2	108.8575	0.000	2	109.2544	0.334	74	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	C(C[5]C[5]2H)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	109.3316	0.221	14	109.3316	0.049	14	109.2544	0.334	74	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]2O)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	C(C[5]C[5]2O)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	106.2820	0.393	2	106.2820	0.155	2	109.2544	0.334	74	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]C)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	C(C[5]C[5]N[5]C)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	109.0713	0.020	3	109.0713	0.000	3	109.2544	0.334	74	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]O)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	C(C[5]C[5]N[5]O)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	109.2910	0.008	2	109.2910	0.000	2	109.2544	0.334	74	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	C(C[5]C[5]O[5]H)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	109.5721	0.235	19	109.5721	0.055	19	109.2544	0.334	74	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]O)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	C(C[5]C[5]O[5]O)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	109.1167	0.100	8	109.1167	0.010	8	109.2544	0.334	74	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[5]S[5]C)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	C(C[5]C[5]S[5]C)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	109.2210	0.007	2	109.2210	0.000	2	109.2544	0.334	74	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]C[6a]C[5]2)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	C(C[5]C[6a]C[5]2)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	108.7980	0.282	4	108.7980	0.079	4	109.2544	0.334	74	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]N[5]2C)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	C(C[5]N[5]2C)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	109.3558	0.111	4	109.3558	0.012	4	109.2544	0.334	74	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[5]O[5]2Cl)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	C(C[5]O[5]2Cl)(Cl)(H)2	Cl(CC[5]HH)	H(CC[5]ClH)	109.2380	0.019	4	109.2380	0.000	4	109.2544	0.334	74	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[6,6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]O)(Cl)(H)2	Cl(CC[6,6]HH)	H(CC[6,6]ClH)	C(C[6,6]C[3x6]C[6,6]O)(Cl)(H)2	Cl(CC[6,6]HH)	H(CC[6,6]ClH)	106.7165	1.106	4	106.7165	1.224	4	106.7165	1.224	4	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]O)(Cl)2(H)	Cl(CC[6]ClH)	H(CC[6]Cl2)	C(C[6]C[6,6]C[6]O)(Cl)2(H)	Cl(CC[6]ClH)	H(CC[6]Cl2)	107.7145	0.023	2	107.7145	0.001	2	107.8521	0.144	9	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[6]C[6]2C)(Cl)2(H)	Cl(CC[6]ClH)	H(CC[6]Cl2)	C(C[6]C[6]2C)(Cl)2(H)	Cl(CC[6]ClH)	H(CC[6]Cl2)	107.7315	0.354	4	107.7315	0.125	4	107.8521	0.144	9	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]C)(Cl)2(H)	Cl(CC[6]ClH)	H(CC[6]Cl2)	C(C[6]C[6]O[6]C)(Cl)2(H)	Cl(CC[6]ClH)	H(CC[6]Cl2)	108.6730	0.000	1	108.6730	0.000	1	107.8521	0.144	9	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(C[6]N[6]2H)(Cl)2(H)	Cl(CC[6]ClH)	H(CC[6]Cl2)	C(C[6]N[6]2H)(Cl)2(H)	Cl(CC[6]ClH)	H(CC[6]Cl2)	107.8205	0.016	2	107.8205	0.000	2	107.8521	0.144	9	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[5a,6]C[6]H)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	C(C[6]C[5a,6]C[6]H)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	109.3635	0.013	2	109.3635	0.000	2	109.1625	0.290	57	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	C(C[6]C[6,6a]C[6]H)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	109.1887	0.120	6	109.1887	0.014	6	109.1625	0.290	57	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	108.9622	0.046	6	108.9622	0.002	6	109.1625	0.290	57	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2Cl)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	C(C[6]C[6]2Cl)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	109.0860	0.035	2	109.0860	0.001	2	109.1625	0.290	57	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2F)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	C(C[6]C[6]2F)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	107.3370	0.066	2	107.3370	0.004	2	109.1625	0.290	57	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	C(C[6]C[6]2O)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	109.0365	0.177	2	109.0365	0.032	2	109.1625	0.290	57	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	C(C[6]C[6]N[6]H)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	109.3455	0.558	14	109.3455	0.311	14	109.1625	0.290	57	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6]O[6]H)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	C(C[6]C[6]O[6]H)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	109.1722	0.469	18	109.1722	0.220	18	109.1625	0.290	57	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]O[6])(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	C(C[6]C[6a]C[6]O[6])(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	109.4770	0.000	1	109.4770	0.000	1	109.1625	0.290	57	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[5a,6]C[6]O)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	C(C[6]N[5a,6]C[6]O)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	109.4530	0.016	2	109.4530	0.000	2	109.1625	0.290	57	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	C[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(C[6]N[6]2H)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	C(C[6]N[6]2H)(Cl)(H)2	Cl(CC[6]HH)	H(CC[6]ClH)	109.6960	0.010	2	109.6960	0.000	2	109.1625	0.290	57	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	N-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(NC3)(Cl)(H)2	Cl(CHHN)	H(CClHN)	C(NC3)(Cl)(H)2	Cl(CHHN)	H(CClHN)	109.0126	1.174	34	109.0126	1.379	34	109.0071	1.146	48	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	N-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(NCCN)(Cl)(H)2	Cl(CHHN)	H(CClHN)	C(NCCN)(Cl)(H)2	Cl(CHHN)	H(CClHN)	108.9764	0.869	12	108.9764	0.755	12	109.0071	1.146	48	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	N-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(NC[6a]CC)(Cl)(H)2	Cl(CHHN)	H(CClHN)	C(NC[6a]CC)(Cl)(H)2	Cl(CHHN)	H(CClHN)	109.0980	0.021	2	109.0980	0.000	2	109.0071	1.146	48	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	N[3x6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(N[3x6]C[6,6]3)(Cl)(H)2	Cl(CN[3x6]HH)	H(CN[3x6]ClH)	C(N[3x6]C[6,6]3)(Cl)(H)2	Cl(CN[3x6]HH)	H(CN[3x6]ClH)	109.1519	0.146	20	109.1519	0.021	20	109.1519	0.021	20	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	P-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(PB[3,3,5,5,6,6]C[6a]2)(Cl)(H)2	Cl(CHHP)	H(CClHP)	C(PB[3,3,5,5,6,6]C[6a]2)(Cl)(H)2	Cl(CHHP)	H(CClHP)	108.9910	0.000	1	108.9910	0.000	1	108.7821	3.312	29	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	P-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(PB[3x3,5x5,6,6]C[6a]2)(Cl)(H)2	Cl(CHHP)	H(CClHP)	C(PB[3x3,5x5,6,6]C[6a]2)(Cl)(H)2	Cl(CHHP)	H(CClHP)	109.0065	0.021	2	109.0065	0.000	2	108.7821	3.312	29	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	P-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(PC3)(Cl)(H)2	Cl(CHHP)	H(CClHP)	C(PC3)(Cl)(H)2	Cl(CHHP)	H(CClHP)	107.4061	2.568	10	107.4061	6.593	10	108.7821	3.312	29	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	P-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]2C)(Cl)(H)2	Cl(CHHP)	H(CClHP)	C(PC[6a]2C)(Cl)(H)2	Cl(CHHP)	H(CClHP)	109.4062	0.097	4	109.4062	0.009	4	108.7821	3.312	29	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	P-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]3)(Cl)(H)2	Cl(CHHP)	H(CClHP)	C(PC[6a]3)(Cl)(H)2	Cl(CHHP)	H(CClHP)	109.6666	0.665	8	109.6666	0.443	8	108.7821	3.312	29	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	P-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(PC[6a]CO)(Cl)(H)2	Cl(CHHP)	H(CClHP)	C(PC[6a]CO)(Cl)(H)2	Cl(CHHP)	H(CClHP)	109.6645	0.296	4	109.6645	0.088	4	108.7821	3.312	29	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	P[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(P[5]C[5]2O)(Cl)(H)2	Cl(CP[5]HH)	H(CP[5]ClH)	C(P[5]C[5]2O)(Cl)(H)2	Cl(CP[5]HH)	H(CP[5]ClH)	109.1885	0.035	2	109.1885	0.001	2	109.0885	0.014	4	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	P[5]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(P[5]N[5,5]N[5]O)(Cl)(H)2	Cl(CP[5]HH)	H(CP[5]ClH)	C(P[5]N[5,5]N[5]O)(Cl)(H)2	Cl(CP[5]HH)	H(CP[5]ClH)	108.9885	0.040	2	108.9885	0.002	2	109.0885	0.014	4	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	P[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(P[6]N[6]O[6]O)(Cl)(H)2	Cl(CP[6]HH)	H(CP[6]ClH)	C(P[6]N[6]O[6]O)(Cl)(H)2	Cl(CP[6]HH)	H(CP[6]ClH)	109.4312	0.456	12	109.4312	0.208	12	109.4312	0.208	12	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	S-4:Cl-1:Cl-1:H-1:	C-4:	C-4:	C(SC[6a]OO)(Cl)2(H)	Cl(CClHS)	H(CCl2S)	C(SC[6a]OO)(Cl)2(H)	Cl(CClHS)	H(CCl2S)	108.9315	0.279	8	108.9315	0.078	8	108.9315	0.078	8	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	S-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(SC[5,6]OO)(Cl)(H)2	Cl(CHHS)	H(CClHS)	C(SC[5,6]OO)(Cl)(H)2	Cl(CHHS)	H(CClHS)	107.9074	2.839	8	107.9074	8.062	8	107.9074	8.062	8	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	Si-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(SiC3)(Cl)(H)2	Cl(CSiHH)	H(CClSiH)	C(SiC3)(Cl)(H)2	Cl(CSiHH)	H(CClSiH)	108.7925	0.032	2	108.7925	0.001	2	109.4289	0.162	8	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	Si-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(SiCCO)(Cl)(H)2	Cl(CSiHH)	H(CClSiH)	C(SiCCO)(Cl)(H)2	Cl(CSiHH)	H(CClSiH)	109.5455	0.023	2	109.5455	0.001	2	109.4289	0.162	8	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	Si-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(SiC[6a]2C)(Cl)(H)2	Cl(CSiHH)	H(CClSiH)	C(SiC[6a]2C)(Cl)(H)2	Cl(CSiHH)	H(CClSiH)	109.6887	0.088	4	109.6887	0.008	4	109.4289	0.162	8	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:1:1:1:	4:	4:	Si[6]-4:Cl-1:H-1:H-1:	C-4:	C-4:	C(Si[6]N[6]2Cl)(Cl)(H)2	Cl(CSi[6]HH)	H(CSi[6]ClH)	C(Si[6]N[6]2Cl)(Cl)(H)2	Cl(CSi[6]HH)	H(CSi[6]ClH)	108.8785	0.094	2	108.8785	0.009	2	108.8785	0.009	2	108.9543	2.094	1762	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:2:1:1:	4:	4:	C-4:C-2:Cl-1:H-1:	C-4:	C-4:	C(CCHH)(CN)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CCHH)(CN)(Cl)(H)	Cl(CCCH)	H(CClCC)	109.2580	0.000	1	109.2580	0.000	1	109.2580	0.000	1	109.2580	0.000	1	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CCFF)(CCO)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CCFF)(CCO)(Cl)(H)	Cl(CCCH)	H(CClCC)	108.7145	0.050	2	108.7145	0.003	2	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CCHH)(CCC)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CCHH)(CCC)(Cl)(H)	Cl(CCCH)	H(CClCC)	104.0020	0.000	1	104.0020	0.000	1	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CCHH)(CCO)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CCHH)(CCO)(Cl)(H)	Cl(CCCH)	H(CClCC)	109.7030	0.436	2	109.7030	0.190	2	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CCHH)(CNO)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CCHH)(CNO)(Cl)(H)	Cl(CCCH)	H(CClCC)	108.8233	1.547	4	108.8233	2.392	4	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CCHH)(COO)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CCHH)(COO)(Cl)(H)	Cl(CCCH)	H(CClCC)	109.0205	0.873	4	109.0205	0.763	4	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CCHN)(CCH)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CCHN)(CCH)(Cl)(H)	Cl(CCCH)	H(CClCC)	107.2680	0.000	1	107.2680	0.000	1	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CCHO)(CCH)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CCHO)(CCH)(Cl)(H)	Cl(CCCH)	H(CClCC)	108.6750	0.000	1	108.6750	0.000	1	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CCHO)(COO)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CCHO)(COO)(Cl)(H)	Cl(CCCH)	H(CClCC)	109.7044	0.192	5	109.7044	0.037	5	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CC[6]HN)(CN[5]O)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CC[6]HN)(CN[5]O)(Cl)(H)	Cl(CCCH)	H(CClCC)	109.1750	0.129	2	109.1750	0.017	2	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]BrH)(CNO)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CC[6a]BrH)(CNO)(Cl)(H)	Cl(CCCH)	H(CClCC)	110.2667	0.348	3	110.2667	0.121	3	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CC[5a]O)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CC[6a]CH)(CC[5a]O)(Cl)(H)	Cl(CCCH)	H(CClCC)	109.0910	0.000	1	109.0910	0.000	1	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]ClH)(CCO)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CC[6a]ClH)(CCO)(Cl)(H)	Cl(CCCH)	H(CClCC)	109.2210	0.000	1	109.2210	0.000	1	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CCH)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CC[6a]HN)(CCH)(Cl)(H)	Cl(CCCH)	H(CClCC)	108.4830	0.000	1	108.4830	0.000	1	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CC[6a]O)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CC[6a]HN)(CC[6a]O)(Cl)(H)	Cl(CCCH)	H(CClCC)	110.0190	0.000	1	110.0190	0.000	1	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]HN)(CN[5]O)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CC[6a]HN)(CN[5]O)(Cl)(H)	Cl(CCCH)	H(CClCC)	108.8025	0.354	4	108.8025	0.125	4	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CNO)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CC[6a]HO)(CNO)(Cl)(H)	Cl(CCCH)	H(CClCC)	110.1350	0.000	1	110.1350	0.000	1	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]HS)(CC[6a]O)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CC[6a]HS)(CC[6a]O)(Cl)(H)	Cl(CCCH)	H(CClCC)	109.6560	0.000	1	109.6560	0.000	1	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CClHH)(CClH)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CClHH)(CClH)(Cl)(H)	Cl(CCCH)	H(CClCC)	112.2590	0.000	1	112.2590	0.000	1	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CH3)(CNO)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CH3)(CNO)(Cl)(H)	Cl(CCCH)	H(CClCC)	109.4460	0.000	1	109.4460	0.000	1	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(CH3)(COO)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CH3)(COO)(Cl)(H)	Cl(CCCH)	H(CClCC)	108.4787	0.683	3	108.4787	0.466	3	109.1196	1.600	40	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C-4:S-3:Cl-1:H-1:	C-4:	C-4:	C(CC[5]HH)(SC[6a]O)(Cl)(H)	Cl(CCHS)	H(CClCS)	C(CC[5]HH)(SC[6a]O)(Cl)(H)	Cl(CCHS)	H(CClCS)	108.4015	1.684	2	108.4015	2.835	2	108.4015	2.835	2	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:Cl-1:H-1:	C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(Cl)(H)	Cl(CC[6a]C[5]H)	H(CC[6a]C[5]Cl)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(Cl)(H)	Cl(CC[6a]C[5]H)	H(CC[6a]C[5]Cl)	106.8110	0.000	1	106.8110	0.000	1	104.9083	15.470	6	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C[5]-4:C[6a]-3:Cl-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	Cl(CC[6a]C[5]H)	H(CC[6a]C[5]Cl)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	Cl(CC[6a]C[5]H)	H(CC[6a]C[5]Cl)	104.5278	4.272	5	104.5278	18.251	5	104.9083	15.470	6	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C[6]-4:C-3:Cl-1:H-1:	C-4:	C-4:	C(C[6]C[6,6]C[6]H)(CCH)(Cl)(H)	Cl(CC[6]CH)	H(CC[6]ClC)	C(C[6]C[6,6]C[6]H)(CCH)(Cl)(H)	Cl(CC[6]CH)	H(CC[6]ClC)	107.5400	0.000	1	107.5400	0.000	1	107.5400	0.000	1	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:Cl-1:H-1:	C-4:	C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	Cl(CC[6a]C[6]H)	H(CC[6a]C[6]Cl)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	Cl(CC[6a]C[6]H)	H(CC[6a]C[6]Cl)	107.3310	0.025	2	107.3310	0.001	2	106.3660	1.310	4	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:Cl-1:H-1:	C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(Cl)(H)	Cl(CC[6a]C[6]H)	H(CC[6a]C[6]Cl)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(Cl)(H)	Cl(CC[6a]C[6]H)	H(CC[6a]C[6]Cl)	105.0810	0.000	1	105.0810	0.000	1	106.3660	1.310	4	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:3:1:1:	4:	4:	C[6]-4:C[6a]-3:Cl-1:H-1:	C-4:	C-4:	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(Cl)(H)	Cl(CC[6a]C[6]H)	H(CC[6a]C[6]Cl)	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(Cl)(H)	Cl(CC[6a]C[6]H)	H(CC[6a]C[6]Cl)	105.7210	0.000	1	105.7210	0.000	1	106.3660	1.310	4	108.3781	4.954	53	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CBrCC)(CCHH)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CBrCC)(CCHH)(Cl)(H)	Cl(CCCH)	H(CClCC)	105.3310	0.000	1	105.3310	0.000	1	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CBrCC)(CHHO)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CBrCC)(CHHO)(Cl)(H)	Cl(CCCH)	H(CClCC)	106.5560	0.000	1	106.5560	0.000	1	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CBrCH)(CCHH)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CBrCH)(CCHH)(Cl)(H)	Cl(CCCH)	H(CClCC)	106.5830	0.000	1	106.5830	0.000	1	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CCCH)(CCHN)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CCCH)(CCHN)(Cl)(H)	Cl(CCCH)	H(CClCC)	107.7090	0.421	2	107.7090	0.178	2	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CCCO)(CH3)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CCCO)(CH3)(Cl)(H)	Cl(CCCH)	H(CClCC)	108.7290	0.000	1	108.7290	0.000	1	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CCHH)(CCHO)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CCHH)(CCHO)(Cl)(H)	Cl(CCCH)	H(CClCC)	107.5774	0.761	8	107.5774	0.579	8	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CCHH)(CH3)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CCHH)(CH3)(Cl)(H)	Cl(CCCH)	H(CClCC)	105.4772	6.886	5	105.4772	47.416	5	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CCHH)(CHHO)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CCHH)(CHHO)(Cl)(H)	Cl(CCCH)	H(CClCC)	108.7120	0.037	2	108.7120	0.001	2	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CCHH)2(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CCHH)2(Cl)(H)	Cl(CCCH)	H(CClCC)	108.0636	0.725	5	108.0636	0.526	5	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CCHN)(CHHN)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CCHN)(CHHN)(Cl)(H)	Cl(CCCH)	H(CClCC)	108.7873	0.628	3	108.7873	0.395	3	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CCHO)(CH3)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CCHO)(CH3)(Cl)(H)	Cl(CCCH)	H(CClCC)	108.2310	0.000	1	108.2310	0.000	1	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CCHO)(CHHO)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CCHO)(CHHO)(Cl)(H)	Cl(CCCH)	H(CClCC)	108.0983	0.689	6	108.0983	0.475	6	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CC[3]HH)(CH3)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CC[3]HH)(CH3)(Cl)(H)	Cl(CCCH)	H(CClCC)	102.4160	0.000	1	102.4160	0.000	1	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CC[5a]HH)(CCHH)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CC[5a]HH)(CCHH)(Cl)(H)	Cl(CCCH)	H(CClCC)	108.6920	0.000	1	108.6920	0.000	1	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]CH)(CCHH)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CC[6a]CH)(CCHH)(Cl)(H)	Cl(CCCH)	H(CClCC)	107.6983	0.317	3	107.6983	0.100	3	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]ClH)(CHHO)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CC[6a]ClH)(CHHO)(Cl)(H)	Cl(CCCH)	H(CClCC)	108.2590	0.382	2	108.2590	0.146	2	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CC[5]HH)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CC[6a]HH)(CC[5]HH)(Cl)(H)	Cl(CCCH)	H(CClCC)	108.6440	0.000	1	108.6440	0.000	1	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]HH)(CHHO)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CC[6a]HH)(CHHO)(Cl)(H)	Cl(CCCH)	H(CClCC)	108.9535	0.446	2	108.9535	0.199	2	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(CClCH)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CC[6a]HO)(CClCH)(Cl)(H)	Cl(CCCH)	H(CClCC)	108.2210	0.000	1	108.2210	0.000	1	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CClCH)(CCHH)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CClCH)(CCHH)(Cl)(H)	Cl(CCCH)	H(CClCC)	106.8957	0.998	6	106.8957	0.996	6	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CClCH)(CCHO)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CClCH)(CCHO)(Cl)(H)	Cl(CCCH)	H(CClCC)	107.9959	0.908	12	107.9959	0.824	12	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CClCH)(CH3)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CClCH)(CH3)(Cl)(H)	Cl(CCCH)	H(CClCC)	107.1471	1.954	7	107.1471	3.816	7	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CClCH)(CHHN)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CClCH)(CHHN)(Cl)(H)	Cl(CCCH)	H(CClCC)	106.6480	0.000	1	106.6480	0.000	1	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CClCH)(CHHO)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CClCH)(CHHO)(Cl)(H)	Cl(CCCH)	H(CClCC)	107.6570	0.562	5	107.6570	0.315	5	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CClCH)2(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CClCH)2(Cl)(H)	Cl(CCCH)	H(CClCC)	107.4174	0.388	5	107.4174	0.150	5	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CClHH)(CCHH)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CClHH)(CCHH)(Cl)(H)	Cl(CCCH)	H(CClCC)	106.7640	1.247	3	106.7640	1.556	3	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CClHH)(CHHO)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CClHH)(CHHO)(Cl)(H)	Cl(CCCH)	H(CClCC)	107.9620	0.000	1	107.9620	0.000	1	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CClHH)2(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CClHH)2(Cl)(H)	Cl(CCCH)	H(CClCC)	119.7870	0.000	1	119.7870	0.000	1	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CHHN)(CH3)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CHHN)(CH3)(Cl)(H)	Cl(CCCH)	H(CClCC)	108.9930	0.000	1	108.9930	0.000	1	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(CHHO)(CC3)(Cl)(H)	Cl(CCCH)	H(CClCC)	C(CHHO)(CC3)(Cl)(H)	Cl(CCCH)	H(CClCC)	107.7317	0.924	3	107.7317	0.853	3	107.6809	5.250	92	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:P-4:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]ClH)(PC[6a]2O)(Cl)(H)	Cl(CCHP)	H(CClCP)	C(CC[6a]ClH)(PC[6a]2O)(Cl)(H)	Cl(CCHP)	H(CClCP)	109.8000	0.000	1	109.8000	0.000	1	109.3160	0.115	4	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C-4:P-4:Cl-1:H-1:	C-4:	C-4:	C(CC[6a]HO)(PO3)(Cl)(H)	Cl(CCHP)	H(CClCP)	C(CC[6a]HO)(PO3)(Cl)(H)	Cl(CCHP)	H(CClCP)	109.1547	0.128	3	109.1547	0.016	3	109.3160	0.115	4	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C[3]-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(Cl)(H)	Cl(CC[3]CH)	H(CC[3]ClC)	C(C[3]C[3]O[3]H)(CCHH)(Cl)(H)	Cl(CC[3]CH)	H(CC[3]ClC)	109.3760	0.598	3	109.3760	0.358	3	109.3760	0.358	3	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C[4]-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[4]C[4]N[4]H)(CC[6a]HH)(Cl)(H)	Cl(CC[4]CH)	H(CC[4]ClC)	C(C[4]C[4]N[4]H)(CC[6a]HH)(Cl)(H)	Cl(CC[4]CH)	H(CC[4]ClC)	108.9920	0.000	1	108.9920	0.000	1	108.9920	0.000	1	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C[5]-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[5]C[5]2Fe)(CCHH)(Cl)(H)	Cl(CC[5]CH)	H(CC[5]ClC)	C(C[5]C[5]2Fe)(CCHH)(Cl)(H)	Cl(CC[5]CH)	H(CC[5]ClC)	107.2387	0.489	3	107.2387	0.239	3	107.6859	0.741	13	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C[5]-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CCHH)(Cl)(H)	Cl(CC[5]CH)	H(CC[5]ClC)	C(C[5]C[5]2H)(CCHH)(Cl)(H)	Cl(CC[5]CH)	H(CC[5]ClC)	107.3620	0.513	3	107.3620	0.263	3	107.6859	0.741	13	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C[5]-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CH3)(Cl)(H)	Cl(CC[5]CH)	H(CC[5]ClC)	C(C[5]C[5]2H)(CH3)(Cl)(H)	Cl(CC[5]CH)	H(CC[5]ClC)	108.5040	0.014	3	108.5040	0.000	3	107.6859	0.741	13	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C[5]-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[5]C[5]2H)(CHHO)(Cl)(H)	Cl(CC[5]CH)	H(CC[5]ClC)	C(C[5]C[5]2H)(CHHO)(Cl)(H)	Cl(CC[5]CH)	H(CC[5]ClC)	107.4920	0.000	1	107.4920	0.000	1	107.6859	0.741	13	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C[5]-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[5]C[5]N[5]H)(CC3)(Cl)(H)	Cl(CC[5]CH)	H(CC[5]ClC)	C(C[5]C[5]N[5]H)(CC3)(Cl)(H)	Cl(CC[5]CH)	H(CC[5]ClC)	105.9090	0.000	1	105.9090	0.000	1	107.6859	0.741	13	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C[5]-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]C)(CC[6a]HH)(Cl)(H)	Cl(CC[5]CH)	H(CC[5]ClC)	C(C[5]C[5]O[5]C)(CC[6a]HH)(Cl)(H)	Cl(CC[5]CH)	H(CC[5]ClC)	108.8250	0.000	1	108.8250	0.000	1	107.6859	0.741	13	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C[5]-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(Cl)(H)	Cl(CC[5]CH)	H(CC[5]ClC)	C(C[5]C[5]O[5]H)(CCHH)(Cl)(H)	Cl(CC[5]CH)	H(CC[5]ClC)	108.3770	0.000	1	108.3770	0.000	1	107.6859	0.741	13	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C[6,6]-4:C-4:Cl-1:H-1:	C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(Cl)(H)	Cl(CC[6,6]CH)	H(CC[6,6]ClC)	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(Cl)(H)	Cl(CC[6,6]CH)	H(CC[6,6]ClC)	108.7700	0.000	1	108.7700	0.000	1	108.7700	0.000	1	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	C[6]-4:S-4:Cl-1:H-1:	C-4:	C-4:	C(C[6]C[6]2O)(SC[6a]OO)(Cl)(H)	Cl(CC[6]HS)	H(CC[6]ClS)	C(C[6]C[6]2O)(SC[6a]OO)(Cl)(H)	Cl(CC[6]HS)	H(CC[6]ClS)	106.7815	0.026	2	106.7815	0.001	2	106.7815	0.001	2	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	P-4:S-4:Cl-1:H-1:	C-4:	C-4:	C(PC[6a]2S)(SC[6a]OO)(Cl)(H)	Cl(CHPS)	H(CClPS)	C(PC[6a]2S)(SC[6a]OO)(Cl)(H)	Cl(CHPS)	H(CClPS)	107.2865	0.620	2	107.2865	0.385	2	107.2865	0.385	2	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	P-4:Si-4:Cl-1:H-1:	C-4:	C-4:	C(PC[6a]2S)(SiC[6a]3)(Cl)(H)	Cl(CSiHP)	H(CClSiP)	C(PC[6a]2S)(SiC[6a]3)(Cl)(H)	Cl(CSiHP)	H(CClSiP)	105.9080	0.864	2	105.9080	0.747	2	105.9080	0.747	2	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	4:4:1:1:	4:	4:	Si-4:P-4:Cl-1:H-1:	C-4:	C-4:	C(SiC[6a]CC)(PC[6a]2S)(Cl)(H)	Cl(CSiHP)	H(CClSiP)	C(SiC[6a]CC)(PC[6a]2S)(Cl)(H)	Cl(CSiHP)	H(CClSiP)	107.3210	0.000	1	107.3210	0.000	1	107.3210	0.000	1	107.7437	4.324	121	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	5:1:1:1:	4:	4:	C-5:Cl-1:H-1:H-1:	C-4:	C-4:	C(CCHOW)(Cl)(H)2	Cl(CCHH)	H(CClCH)	C(CCHOW)(Cl)(H)2	Cl(CCHH)	H(CClCH)	109.5580	0.010	2	109.5580	0.000	2	109.5580	0.000	2	109.2079	0.233	11	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	5:1:1:1:	4:	4:	Si[5]-5:Cl-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5]O[5]CF)(Cl)(H)2	Cl(CSi[5]HH)	H(CSi[5]ClH)	C(Si[5]C[5]O[5]CF)(Cl)(H)2	Cl(CSi[5]HH)	H(CSi[5]ClH)	109.2960	0.000	1	109.2960	0.000	1	109.1301	0.253	9	109.2079	0.233	11	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	5:1:1:1:	4:	4:	Si[5]-5:Cl-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5]O[5]CO)(Cl)(H)2	Cl(CSi[5]HH)	H(CSi[5]ClH)	C(Si[5]C[5]O[5]CO)(Cl)(H)2	Cl(CSi[5]HH)	H(CSi[5]ClH)	108.6905	0.440	4	108.6905	0.193	4	109.1301	0.253	9	109.2079	0.233	11	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	5:1:1:1:	4:	4:	Si[5]-5:Cl-1:H-1:H-1:	C-4:	C-4:	C(Si[5]C[5]O[5]ClC)(Cl)(H)2	Cl(CSi[5]HH)	H(CSi[5]ClH)	C(Si[5]C[5]O[5]ClC)(Cl)(H)2	Cl(CSi[5]HH)	H(CSi[5]ClH)	109.5282	0.066	4	109.5282	0.004	4	109.1301	0.253	9	109.2079	0.233	11	108.9070	1.785	34166	108.9070	1.785	34166
490	790	951	0:SP3_SP-NON_SP-NON	C	Cl	H	6:3:1:1:	4:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:Cl-1:H-1:	C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(Cl)(H)	Cl(CC[5x3,5x5,20x6]C[6a]H)	H(CC[5x3,5x5,20x6]C[6a]Cl)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(Cl)(H)	Cl(CC[5x3,5x5,20x6]C[6a]H)	H(CC[5x3,5x5,20x6]C[6a]Cl)	107.1660	0.000	1	107.1660	0.000	1	107.1660	0.000	1	107.1660	0.000	1	108.9070	1.785	34166	108.9070	1.785	34166
490	790	952	0:SP3_SP-NON_SP3	C	Cl	S	4:1:1:1:	4:	3:4:1:1:	S-4:Cl-1:Cl-1:H-1:	C-4:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(Cl)2(H)	Cl(CClHS)	S(C[6a]C[6a]2)(CCl2H)(O)2	C(SC[6a]OO)(Cl)2(H)	Cl(CClHS)	S(C[6a]C[6a]2)(CCl2H)(O)2	109.5090	1.523	4	109.5090	2.318	4	109.1208	2.284	8	109.1208	2.284	8	108.4159	1.859	22	108.4159	1.859	22
490	790	952	0:SP3_SP-NON_SP3	C	Cl	S	4:1:1:1:	4:	3:4:1:1:	S-4:Cl-1:Cl-1:H-1:	C-4:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(Cl)2(H)	Cl(CClHS)	S(C[6a]C[6a]N[6a])(CCl2H)(O)2	C(SC[6a]OO)(Cl)2(H)	Cl(CClHS)	S(C[6a]C[6a]N[6a])(CCl2H)(O)2	108.7325	1.615	4	108.7325	2.608	4	109.1208	2.284	8	109.1208	2.284	8	108.4159	1.859	22	108.4159	1.859	22
490	790	952	0:SP3_SP-NON_SP3	C	Cl	S	4:1:1:1:	4:	4:4:1:1:	S-4:Cl-1:H-1:H-1:	C-4:	C[5,6]-4:C-4:O-1:O-1:	C(SC[5,6]OO)(Cl)(H)2	Cl(CHHS)	S(C[5,6]C[5,5,6]C[5,6]H)(CClHH)(O)2	C(SC[5,6]OO)(Cl)(H)2	Cl(CHHS)	S(C[5,6]C[5,5,6]C[5,6]H)(CClHH)(O)2	108.5943	1.825	4	108.5943	3.329	4	108.5943	3.329	4	108.5943	3.329	4	108.4159	1.859	22	108.4159	1.859	22
490	790	952	0:SP3_SP-NON_SP3	C	Cl	S	4:3:1:1:	4:	3:4:1:1:	S-4:C-3:Cl-1:Cl-1:	C-4:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(CCH)(Cl)2	Cl(CClCS)	S(C[6a]C[6a]2)(CCl2C)(O)2	C(SC[6a]OO)(CCH)(Cl)2	Cl(CClCS)	S(C[6a]C[6a]2)(CCl2C)(O)2	108.2445	0.120	4	108.2445	0.014	4	108.2445	0.014	4	108.2445	0.014	4	108.4159	1.859	22	108.4159	1.859	22
490	790	952	0:SP3_SP-NON_SP3	C	Cl	S	4:4:1:1:	4:	3:4:1:1:	C-4:S-4:Cl-1:Cl-1:	C-4:	C[6a]-3:C-4:O-1:O-1:	C(CC[6a]HN)(SC[6a]OO)(Cl)2	Cl(CClCS)	S(C[6a]C[6a]2)(CCl2C)(O)2	C(CC[6a]HN)(SC[6a]OO)(Cl)2	Cl(CClCS)	S(C[6a]C[6a]2)(CCl2C)(O)2	107.4605	1.097	2	107.4605	1.203	2	107.4605	1.203	2	107.4715	0.690	6	108.4159	1.859	22	108.4159	1.859	22
490	790	952	0:SP3_SP-NON_SP3	C	Cl	S	4:4:1:1:	4:	3:4:1:1:	C[6]-4:S-4:Cl-1:H-1:	C-4:	C[6a]-3:C-4:O-1:O-1:	C(C[6]C[6]2O)(SC[6a]OO)(Cl)(H)	Cl(CC[6]HS)	S(C[6a]C[6a]2)(CC[6]ClH)(O)2	C(C[6]C[6]2O)(SC[6a]OO)(Cl)(H)	Cl(CC[6]HS)	S(C[6a]C[6a]2)(CC[6]ClH)(O)2	106.7975	0.097	2	106.7975	0.009	2	106.7975	0.009	2	107.4715	0.690	6	108.4159	1.859	22	108.4159	1.859	22
490	790	952	0:SP3_SP-NON_SP3	C	Cl	S	4:4:1:1:	4:	3:4:1:1:	P-4:S-4:Cl-1:H-1:	C-4:	C[6a]-3:C-4:O-1:O-1:	C(PC[6a]2S)(SC[6a]OO)(Cl)(H)	Cl(CHPS)	S(C[6a]C[6a]2)(CClHP)(O)2	C(PC[6a]2S)(SC[6a]OO)(Cl)(H)	Cl(CHPS)	S(C[6a]C[6a]2)(CClHP)(O)2	108.1565	0.626	2	108.1565	0.392	2	108.1565	0.392	2	107.4715	0.690	6	108.4159	1.859	22	108.4159	1.859	22
490	790	955	0:SP3_SP-NON_SP3	C	Cl	P[5]	4:1:1:1:	4:	3:3:4:1:	P[5]-4:Cl-1:H-1:H-1:	C-4:	N[5,5]-3:N[5]-3:C-4:O-1:	C(P[5]N[5,5]N[5]O)(Cl)(H)2	Cl(CP[5]HH)	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CClHH)(O)	C(P[5]N[5,5]N[5]O)(Cl)(H)2	Cl(CP[5]HH)	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CClHH)(O){2|C<3>,2|C<4>,5|H<1>}	113.0910	0.000	1	113.0910	0.000	1	113.0910	0.000	1	113.0910	0.000	1	112.5890	0.504	2	112.5890	0.504	2
490	790	955	0:SP3_SP-NON_SP3	C	Cl	P[5]	4:1:1:1:	4:	4:3:4:1:	P[5]-4:Cl-1:H-1:H-1:	C-4:	C[5]-4:C[5]-3:C-4:O-1:	C(P[5]C[5]2O)(Cl)(H)2	Cl(CP[5]HH)	P[5](C[5]O[5]HH)(C[5]C[5]C)(CClHH)(O)	C(P[5]C[5]2O)(Cl)(H)2	Cl(CP[5]HH)	P[5](C[5]O[5]HH)(C[5]C[5]C)(CClHH)(O){1|O<2>}	112.0870	0.000	1	112.0870	0.000	1	112.0870	0.000	1	112.0870	0.000	1	112.5890	0.504	2	112.5890	0.504	2
490	790	956	0:SP3_SP-NON_SP2	C	Cl	N	3:1:1:1:	4:	3:4:3:	N-3:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(Cl)(H)2	Cl(CHHN)	N(C[6a]C[6a]2)(CClHH)(CCO)	C(NC[6a]C)(Cl)(H)2	Cl(CHHN)	N(C[6a]C[6a]2)(CClHH)(CCO)	115.2700	0.000	1	115.2700	0.000	1	115.2700	0.000	1	115.2700	0.000	1	109.3515	6.266	33	109.3515	6.266	33
490	790	956	0:SP3_SP-NON_SP2	C	Cl	N	3:3:3:1:	4:	4:1:1:	C-3:N-3:N-3:Cl-1:	C-4:	C-4:O-1:O-1:	C(CNN)(NOO)2(Cl)	Cl(CCNN)	N(CClCN)(O)2	C(CNN)(NOO)2(Cl)	Cl(CCNN)	N(CClCN)(O)2	109.7412	0.981	12	109.7412	0.963	12	109.7412	0.963	12	110.2178	1.697	23	109.3515	6.266	33	109.3515	6.266	33
490	790	956	0:SP3_SP-NON_SP2	C	Cl	N	3:3:3:1:	4:	4:1:1:	C[5a]-3:N-3:N-3:Cl-1:	C-4:	C-4:O-1:O-1:	C(C[5a]N[5a]2)(NOO)2(Cl)	Cl(CC[5a]NN)	N(CC[5a]ClN)(O)2	C(C[5a]N[5a]2)(NOO)2(Cl)	Cl(CC[5a]NN)	N(CC[5a]ClN)(O)2	110.3818	0.329	4	110.3818	0.108	4	110.3818	0.108	4	110.2178	1.697	23	109.3515	6.266	33	109.3515	6.266	33
490	790	956	0:SP3_SP-NON_SP2	C	Cl	N	3:3:3:1:	4:	4:1:1:	C[6]-3:N-3:N-3:Cl-1:	C-4:	C-4:O-1:O-1:	C(C[6]N[6]2)(NOO)2(Cl)	Cl(CC[6]NN)	N(CC[6]ClN)(O)2	C(C[6]N[6]2)(NOO)2(Cl)	Cl(CC[6]NN)	N(CC[6]ClN)(O)2	109.7572	1.501	4	109.7572	2.254	4	109.7572	2.254	4	110.2178	1.697	23	109.3515	6.266	33	109.3515	6.266	33
490	790	956	0:SP3_SP-NON_SP2	C	Cl	N	3:3:3:1:	4:	4:1:1:	N-3:N-3:N-3:Cl-1:	C-4:	C-4:O-1:O-1:	C(NOO)3(Cl)	Cl(CN3)	N(CClNN)(O)2	C(NOO)3(Cl)	Cl(CN3)	N(CClNN)(O)2	112.5193	0.196	3	112.5193	0.039	3	112.5193	0.039	3	110.2178	1.697	23	109.3515	6.266	33	109.3515	6.266	33
490	790	956	0:SP3_SP-NON_SP2	C	Cl	N	4:3:1:1:	4:	4:1:1:	C-4:N-3:Cl-1:Cl-1:	C-4:	C-4:O-1:O-1:	C(CC[6a]HN)(NOO)(Cl)2	Cl(CClCN)	N(CCl2C)(O)2	C(CC[6a]HN)(NOO)(Cl)2	Cl(CClCN)	N(CCl2C)(O)2	107.8505	2.150	2	107.8505	4.624	2	107.1415	3.509	6	107.1415	3.509	6	109.3515	6.266	33	109.3515	6.266	33
490	790	956	0:SP3_SP-NON_SP2	C	Cl	N	4:3:1:1:	4:	4:1:1:	C-4:N-3:Cl-1:Cl-1:	C-4:	C-4:O-1:O-1:	C(CC[6a]HO)(NOO)(Cl)2	Cl(CClCN)	N(CCl2C)(O)2	C(CC[6a]HO)(NOO)(Cl)2	Cl(CClCN)	N(CCl2C)(O)2	106.7870	1.950	4	106.7870	3.804	4	107.1415	3.509	6	107.1415	3.509	6	109.3515	6.266	33	109.3515	6.266	33
490	790	956	0:SP3_SP-NON_SP2	C	Cl	N	4:4:3:1:	4:	4:1:1:	C-4:C-4:N-3:Cl-1:	C-4:	C-4:O-1:O-1:	C(CC[6a]HN)(CH3)(NOO)(Cl)	Cl(CCCN)	N(CClCC)(O)2	C(CC[6a]HN)(CH3)(NOO)(Cl)	Cl(CCCN)	N(CClCC)(O)2	103.7870	0.000	2	103.7870	0.000	2	105.1567	5.628	3	105.1567	5.628	3	109.3515	6.266	33	109.3515	6.266	33
490	790	956	0:SP3_SP-NON_SP2	C	Cl	N	4:4:3:1:	4:	4:1:1:	C-4:C-4:N-3:Cl-1:	C-4:	C-4:O-1:O-1:	C(CC[6a]N[5]H)(CH3)(NOO)(Cl)	Cl(CCCN)	N(CClCC)(O)2	C(CC[6a]N[5]H)(CH3)(NOO)(Cl)	Cl(CCCN)	N(CClCC)(O)2	107.8960	0.000	1	107.8960	0.000	1	105.1567	5.628	3	105.1567	5.628	3	109.3515	6.266	33	109.3515	6.266	33
490	790	983	0:SP3_SP-NON_SP1	C	Cl	C	2:1:1:1:	4:	4:1:	C-2:Cl-1:Cl-1:Cl-1:	C-4:	C-4:N-1:	C(CN)(Cl)3	Cl(CCl2C)	C(CCl3)(N)	C(CN)(Cl)3	Cl(CCl2C)	C(CCl3)(N)	109.6197	1.217	3	109.6197	1.482	3	109.6197	1.482	3	109.9433	1.407	4	109.0098	3.098	6	109.0098	3.098	6
490	790	983	0:SP3_SP-NON_SP1	C	Cl	C	2:1:1:1:	4:	4:1:	C-2:Cl-1:H-1:H-1:	C-4:	C-4:N-1:	C(CN)(Cl)(H)2	Cl(CCHH)	C(CClHH)(N)	C(CN)(Cl)(H)2	Cl(CCHH)	C(CClHH)(N)	110.9140	0.000	1	110.9140	0.000	1	110.9140	0.000	1	109.9433	1.407	4	109.0098	3.098	6	109.0098	3.098	6
490	790	983	0:SP3_SP-NON_SP1	C	Cl	C	4:2:1:1:	4:	4:1:	C-4:C-2:Cl-1:H-1:	C-4:	C-4:N-1:	C(CCHH)(CN)(Cl)(H)	Cl(CCCH)	C(CClCH)(N)	C(CCHH)(CN)(Cl)(H)	Cl(CCCH)	C(CClCH)(N)	106.5050	0.000	1	106.5050	0.000	1	106.5050	0.000	1	106.5050	0.000	1	109.0098	3.098	6	109.0098	3.098	6
490	790	983	0:SP3_SP-NON_SP1	C	Cl	C	4:4:2:1:	4:	4:2:	C-4:C-4:C-2:Cl-1:	C-4:	C-4:C-2:	C(CCHN)(CH3)(CC)(Cl)	Cl(CC3)	C(CClCC)(CH)	C(CCHN)(CH3)(CC)(Cl)	Cl(CC3)	C(CClCC)(CH)	107.7810	0.000	1	107.7810	0.000	1	107.7810	0.000	1	107.7810	0.000	1	109.0098	3.098	6	109.0098	3.098	6