941	490	762	0:SP2_SP2_SP3	N	C	C[6,6]	3:4:	3:2:1:1:	4:4:2:	C[6,6]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:N-2:	N(C[6,6]C[6,6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6,6])(H)2	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(NC)	N(C[6,6]C[6,6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6,6])(H)2	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(NC){2|C<4>,2|H<1>}	119.0710	0.000	1	119.0710	0.000	1	119.0710	0.000	1	119.0710	0.000	1	119.0710	0.000	1	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:1:1:	2:2:2:	C[6]-3:C-4:	N-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-2:	N(C[6]N[6]2)(CCHH)	C(NC[6])(CH3)(H)2	C[6](N[6]C[6])2(NC)	N(C[6]N[6]2)(CCHH)	C(NC[6])(CH3)(H)2	C[6](N[6]C[6])2(NC){3|N<3>}	121.5020	0.000	1	121.5020	0.000	1	121.5020	0.000	1	121.5020	0.000	1	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:1:1:	2:3:2:	C[6]-3:C-4:	N-2:C-4:H-1:H-1:	C[6]-2:C[6]-3:N-2:	N(C[6]C[6]2)(CCHH)	C(NC[6])(CH3)(H)2	C[6](C[6]C[6,6])(C[6]C[6]C)(NC)	N(C[6]C[6]2)(CCHH)	C(NC[6])(CH3)(H)2	C[6](C[6]C[6,6])(C[6]C[6]C)(NC){1|C<3>,1|O<2>}	124.2840	0.000	1	124.2840	0.000	1	124.2840	0.000	1	124.2840	0.000	1	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:1:1:	3:2:2:	C[6]-3:C-4:	N-2:C-4:H-1:H-1:	C[5a,6]-3:N[6]-2:N-2:	N(C[6]C[5a,6]N[6])(CCHH)	C(NC[6])(CHHN)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NC)	N(C[6]C[5a,6]N[6])(CCHH)	C(NC[6])(CHHN)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.1110	0.000	1	123.1110	0.000	1	123.1110	0.000	1	119.6983	8.751	3	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:1:1:	3:2:2:	C[6]-3:C-4:	N-2:C-4:H-1:H-1:	C[6,6a]-3:O[6]-2:N-2:	N(C[6]C[6,6a]O[6])(CCHH)	C(NC[6])(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC)	N(C[6]C[6,6a]O[6])(CCHH)	C(NC[6])(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC){1|H<1>,4|C<3>}	118.1200	0.000	1	118.1200	0.000	1	118.1200	0.000	1	119.6983	8.751	3	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:1:1:	3:2:2:	C[6]-3:C-4:	N-2:C-4:H-1:H-1:	N[6]-3:S[6]-2:N-2:	N(C[6]N[6]S[6])(CCHH)	C(NC[6])(CCHH)(H)2	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	N(C[6]N[6]S[6])(CCHH)	C(NC[6])(CCHH)(H)2	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	117.8640	0.000	1	117.8640	0.000	1	117.8640	0.000	1	119.6983	8.751	3	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	N-2:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N-2:	N(C[6]C[6,6a]2)(CCHH)	C(NC[6])(CHHN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(NC)	N(C[6]C[6,6a]2)(CCHH)	C(NC[6])(CHHN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(NC){1|N<3>,2|H<1>,4|C<3>}	129.0640	0.000	1	129.0640	0.000	1	129.0640	0.000	1	123.3925	8.397	20	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	N-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-2:	N(C[6]C[6]2)(CCHH)	C(NC[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NC)	N(C[6]C[6]2)(CCHH)	C(NC[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NC){1|C<3>,1|H<1>,1|N<3>}	123.3810	0.488	2	123.3810	0.238	2	123.6178	0.155	4	123.3925	8.397	20	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	N-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-2:	N(C[6]C[6]2)(CCHH)	C(NC[6])(CH3)(H)2	C[6](C[6]C[6]H)2(NC)	N(C[6]C[6]2)(CCHH)	C(NC[6])(CH3)(H)2	C[6](C[6]C[6]H)2(NC){1|C<3>,1|H<1>,1|O<1>}	123.8810	0.000	1	123.8810	0.000	1	123.6178	0.155	4	123.3925	8.397	20	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	N-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-2:	N(C[6]C[6]2)(CCHH)	C(NC[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NC)	N(C[6]C[6]2)(CCHH)	C(NC[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NC){1|C<3>,1|H<1>,1|N<3>}	123.8280	0.000	1	123.8280	0.000	1	123.6178	0.155	4	123.3925	8.397	20	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	N-2:C-4:H-1:H-1:	C[6]-3:N[6]-3:N-2:	N(C[6]C[6]N[6])(CCHH)	C(NC[6])(CCCO)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NC)	N(C[6]C[6]N[6])(CCHH)	C(NC[6])(CCCO)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NC){1|C<3>,2|H<1>}	117.5650	0.000	1	117.5650	0.000	1	120.2575	14.499	2	123.3925	8.397	20	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	N-2:C-4:H-1:H-1:	C[6]-3:N[6]-3:N-2:	N(C[6]C[6]N[6])(CCHH)	C(NC[6])(CCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(NC)	N(C[6]C[6]N[6])(CCHH)	C(NC[6])(CCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(NC){1|C<3>,1|H<1>,1|N<3>}	122.9500	0.000	1	122.9500	0.000	1	120.2575	14.499	2	123.3925	8.397	20	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	N-2:C-4:H-1:H-1:	N[6]-3:C[6]-3:N-2:	N(C[6]C[6]N[6])(CCHH)	C(NC[6])(CC3)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC)	N(C[6]C[6]N[6])(CCHH)	C(NC[6])(CC3)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	122.8010	0.867	4	122.8010	0.752	4	124.0676	5.737	11	123.3925	8.397	20	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	N-2:C-4:H-1:H-1:	N[6]-3:C[6]-3:N-2:	N(C[6]C[6]N[6])(CCHH)	C(NC[6])(CC3)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC)	N(C[6]C[6]N[6])(CCHH)	C(NC[6])(CC3)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	122.1710	0.000	1	122.1710	0.000	1	124.0676	5.737	11	123.3925	8.397	20	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	N-2:C-4:H-1:H-1:	N[6]-3:C[6]-3:N-2:	N(C[6]C[6]N[6])(CCHH)	C(NC[6])(CC3)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC)	N(C[6]C[6]N[6])(CCHH)	C(NC[6])(CC3)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	124.3457	2.170	3	124.3457	4.710	3	124.0676	5.737	11	123.3925	8.397	20	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	N-2:C-4:H-1:H-1:	N[6]-3:C[6]-3:N-2:	N(C[6]C[6]N[6])(CCHH)	C(NC[6])(CHHN)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC)	N(C[6]C[6]N[6])(CCHH)	C(NC[6])(CHHN)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC){1|C<3>,2|H<1>}	126.1107	3.386	3	126.1107	11.463	3	124.0676	5.737	11	123.3925	8.397	20	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	N-2:C-4:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N(C[6]N[6]2)(CCHH)	C(NC[6])(CCHH)(H)2	C[6](N[6]C[6]C)2(NC)	N(C[6]N[6]2)(CCHH)	C(NC[6])(CCHH)(H)2	C[6](N[6]C[6]C)2(NC){1|C<4>,4|H<1>}	119.5275	0.548	2	119.5275	0.300	2	119.5275	0.300	2	123.3925	8.397	20	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:4:1:	2:2:2:	C[6]-3:C-4:	N-2:C-4:C-4:H-1:	S[6]-2:N[6]-2:N-2:	N(C[6]N[6]S[6])(CCCH)	C(NC[6])(CH3)2(H)	C[6](S[6]C[6,6a])(N[6]S[6])(NC)	N(C[6]N[6]S[6])(CCCH)	C(NC[6])(CH3)2(H)	C[6](S[6]C[6,6a])(N[6]S[6])(NC){2|C<3>,2|O<1>}	125.3230	0.000	1	125.3230	0.000	1	125.3230	0.000	1	125.3230	0.000	1	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:4:1:	3:2:2:	C[6]-3:C-4:	N-2:C-4:C-4:H-1:	N[6]-3:N[6]-2:N-2:	N(C[6]N[6]2)(CCCH)	C(NC[6])(CH3)2(H)	C[6](N[6]C[6,6a]H)(N[6]S[6])(NC)	N(C[6]N[6]2)(CCCH)	C(NC[6])(CH3)2(H)	C[6](N[6]C[6,6a]H)(N[6]S[6])(NC){2|C<3>,2|O<1>}	125.0210	0.000	1	125.0210	0.000	1	125.0210	0.000	1	122.2665	15.175	2	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:4:1:	3:2:2:	C[6]-3:C-4:	N-2:C-4:C-4:H-1:	N[6]-3:S[6]-2:N-2:	N(C[6]N[6]S[6])(CCCH)	C(NC[6])(CH3)2(H)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	N(C[6]N[6]S[6])(CCCH)	C(NC[6])(CH3)2(H)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	119.5120	0.000	1	119.5120	0.000	1	119.5120	0.000	1	122.2665	15.175	2	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:4:1:	3:3:2:	C[6]-3:C-4:	N-2:C-4:C-4:H-1:	C[6]-3:N[6]-3:N-2:	N(C[6]C[6]N[6])(CCCH)	C(NC[6])(CH3)2(H)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]C)(NC)	N(C[6]C[6]N[6])(CCCH)	C(NC[6])(CH3)2(H)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]C)(NC){5|C<3>}	125.6440	0.000	1	125.6440	0.000	1	125.6440	0.000	1	125.8825	0.114	2	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:4:1:	3:3:2:	C[6]-3:C-4:	N-2:C-4:C-4:H-1:	N[6]-3:N[6]-3:N-2:	N(C[6]N[6]2)(CCCH)	C(NC[6])(CH3)2(H)	C[6](N[6]B[6]C)(N[6]C[6]C)(NC)	N(C[6]N[6]2)(CCCH)	C(NC[6])(CH3)2(H)	C[6](N[6]B[6]C)(N[6]C[6]C)(NC){1|H<1>,1|N<3>,2|C<3>}	126.1210	0.000	1	126.1210	0.000	1	126.1210	0.000	1	125.8825	0.114	2	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:4:4:	3:2:2:	C[6]-3:C-4:	N-2:C-4:C-4:C-4:	C[5a,6]-3:O[6]-2:N-2:	N(C[6]C[5a,6]O[6])(CC3)	C(NC[6])(CH3)3	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(NC)	N(C[6]C[5a,6]O[6])(CC3)	C(NC[6])(CH3)3	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(NC){2|N<2>,3|C<3>}	124.7440	0.000	1	124.7440	0.000	1	124.7440	0.000	1	124.7440	0.000	1	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:4:4:	3:3:2:	C[6]-3:C-4:	N-2:C-4:C-4:C-4:	C[3x6]-3:N[6]-3:N-2:	N(C[6]C[3x6]N[6])(CC3)	C(NC[6])(CH3)3	C[6](C[3x6]C[4x6]C[6,6])(N[6]Si[4,6]C)(NC)	N(C[6]C[3x6]N[6])(CC3)	C(NC[6])(CH3)3	C[6](C[3x6]C[4x6]C[6,6])(N[6]Si[4,6]C)(NC){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	127.3430	0.000	1	127.3430	0.000	1	127.3430	0.000	1	126.5826	5.539	5	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:4:4:	3:3:2:	C[6]-3:C-4:	N-2:C-4:C-4:C-4:	C[6,6a]-3:N[6]-3:N-2:	N(C[6]C[6,6a]N[6])(CC3)	C(NC[6])(CH3)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC)	N(C[6]C[6,6a]N[6])(CC3)	C(NC[6])(CH3)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	127.1160	0.000	1	127.1160	0.000	1	127.1160	0.000	1	126.5826	5.539	5	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:4:4:	3:3:2:	C[6]-3:C-4:	N-2:C-4:C-4:C-4:	C[6]-3:C[6]-3:N-2:	N(C[6]C[6]2)(CC3)	C(NC[6])(CH3)3	C[6](C[6]C[6]H)(C[6]C[6]O)(NC)	N(C[6]C[6]2)(CC3)	C(NC[6])(CH3)3	C[6](C[6]C[6]H)(C[6]C[6]O)(NC){1|C<3>,2|C<4>}	124.3170	0.740	2	124.3170	0.547	2	124.3170	0.547	2	126.5826	5.539	5	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	2:4:4:4:	3:3:2:	C[6]-3:C-4:	N-2:C-4:C-4:C-4:	N[6]-3:C[6]-3:N-2:	N(C[6]C[6]N[6])(CC3)	C(NC[6])(CH3)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC)	N(C[6]C[6]N[6])(CC3)	C(NC[6])(CH3)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	129.8200	0.000	1	129.8200	0.000	1	129.8200	0.000	1	126.5826	5.539	5	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	3:2:1:1:	3:2:2:	C[6]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	C[6,6a]-3:O[6]-2:N-2:	N(C[6]C[6,6a]O[6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6])(H)2	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6])(NC)	N(C[6]C[6,6a]O[6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6])(H)2	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6])(NC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	117.0330	0.000	1	117.0330	0.000	1	117.0330	0.000	1	118.5447	1.910	3	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	3:2:1:1:	3:2:2:	C[6]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	N[5a,6]-3:S[6]-2:N-2:	N(C[6]N[5a,6]S[6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6])(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])(NC)	N(C[6]N[5a,6]S[6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6])(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])(NC){1|N<2>,4|C<3>}	118.8580	0.000	1	118.8580	0.000	1	118.8580	0.000	1	118.5447	1.910	3	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	3:2:1:1:	3:2:2:	C[6]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	N[6]-3:S[6]-2:N-2:	N(C[6]N[6]S[6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6])(H)2	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	N(C[6]N[6]S[6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6])(H)2	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	119.7430	0.000	1	119.7430	0.000	1	119.7430	0.000	1	118.5447	1.910	3	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	3:2:1:1:	3:3:2:	C[6]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	N[6]-3:C[6]-3:N-2:	N(C[6]C[6]N[6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6])(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC)	N(C[6]C[6]N[6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6])(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC){1|C<3>,2|H<1>}	123.3280	0.000	1	123.3280	0.000	1	123.3280	0.000	1	123.3280	0.000	1	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	3:2:3:1:	3:2:2:	C[6]-3:C-4:	C[6]-3:N-2:O-3:H-1:	N[6]-3:N[6]-2:N-2:	N(C[6]N[6]2)(CC[6]HO)	C(C[6]C[6]N[6])(NC[6])(OCuH)(H)	C[6](N[6]C[6]Cu)(N[6]C[6])(NC)	N(C[6]N[6]2)(CC[6]HO)	C(C[6]C[6]N[6])(NC[6])(OCuH)(H)	C[6](N[6]C[6]Cu)(N[6]C[6])(NC){1|C<3>,2|H<1>}	125.1030	0.000	1	125.1030	0.000	1	125.1030	0.000	1	125.1030	0.000	1	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:	4:2:4:1:	3:2:2:	C[6]-3:C-4:	C[6]-4:N-2:C-4:H-1:	N[6]-3:N[6]-2:N-2:	N(C[6]N[6]2)(CC[6]CH)	C(C[6]C[6]2H)(NC[6])(CH3)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6])(NC)	N(C[6]N[6]2)(CC[6]CH)	C(C[6]C[6]2H)(NC[6])(CH3)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6])(NC){2|C<3>,2|O<1>}	125.3215	0.711	2	125.3215	0.505	2	125.3215	0.505	2	125.3215	0.505	2	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	4:3:	4:4:2:1:	3:3:2:	C-4:C[6]-3:	C[5]-4:C[6]-4:N-2:H-1:	C[6]-3:C[6]-3:N-2:	N(CC[5]C[6]H)(C[6]C[6]2)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC)	N(CC[5]C[6]H)(C[6]C[6]2)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC){1|C<3>,2|H<1>}	123.1370	0.000	1	123.1370	0.000	1	123.1370	0.000	1	123.1370	0.000	1	123.3681	9.528	45	123.2747	9.718	46
941	490	762	0:SP2_SP2_SP3	N	C	C[6]	4:3:	6:3:2:1:	4:3:2:	C-4:C[6]-3:	C[5x3,5x5,20x6]-6:C[6a]-3:N-2:H-1:	C[6]-4:C[6]-3:N-2:	N(CC[5x3,5x5,20x6]C[6a]H)(C[6]C[6]2)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6])(H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(NC)	N(CC[5x3,5x5,20x6]C[6a]H)(C[6]C[6]2)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6])(H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(NC){1|C<3>,2|H<1>}	121.7130	0.000	1	121.7130	0.000	1	121.7130	0.000	1	121.7130	0.000	1	123.3681	9.528	45	123.2747	9.718	46
941	490	818	0:SP2_SP2_SP3	N	C	C[5,6]	3:4:	2:4:3:1:	4:4:2:	C[5,6]-3:C-4:	N-2:C-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:N-2:	N(C[5,6]C[5,5,6]C[5,6])(CCCH)	C(NC[5,6])(CCCH)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NC)	N(C[5,6]C[5,5,6]C[5,6])(CCCH)	C(NC[5,6])(CCCH)(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NC){3|C<4>,3|H<1>}	118.9880	0.000	1	118.9880	0.000	1	118.9880	0.000	1	118.9880	0.000	1	116.8417	4.722	3	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5,6]	3:4:	3:2:1:1:	4:2:2:	C[5,6]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	C[3x5,6]-4:N[5,6]-2:N-2:	N(C[5,6]C[3x5,6]N[5,6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5,6])(H)2	C[5,6](C[3x5,6]N[5,5,6]C[5,5]C[5])(N[5,6]C[5,5,6])(NC)	N(C[5,6]C[3x5,6]N[5,6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5,6])(H)2	C[5,6](C[3x5,6]N[5,5,6]C[5,5]C[5])(N[5,6]C[5,5,6])(NC){3|C<4>,5|H<1>}	114.6430	0.000	1	114.6430	0.000	1	114.6430	0.000	1	114.6430	0.000	1	116.8417	4.722	3	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5,6]	3:4:	3:2:1:1:	4:3:2:	C[5,6]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	C[3x5,6]-4:N[5,6]-3:N-2:	N(C[5,6]C[3x5,6]N[5,6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5,6])(H)2	C[5,6](C[3x5,6]N[5,5,6]C[5,5]C[5])(N[5,6]C[5,5,6]H)(NC)	N(C[5,6]C[3x5,6]N[5,6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5,6])(H)2	C[5,6](C[3x5,6]N[5,5,6]C[5,5]C[5])(N[5,6]C[5,5,6]H)(NC){3|C<4>,5|H<1>}	116.8940	0.000	1	116.8940	0.000	1	116.8940	0.000	1	116.8940	0.000	1	116.8417	4.722	3	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:2:1:1:	2:2:2:	C[5]-3:C-4:	N-2:C-2:H-1:H-1:	S[5]-2:S[5]-2:N-2:	N(C[5]S[5]2)(CCHH)	C(NC[5])(CC)(H)2	C[5](S[5]C[5])2(NC)	N(C[5]S[5]2)(CCHH)	C(NC[5])(CC)(H)2	C[5](S[5]C[5])2(NC){2|S<2>}	115.8895	1.592	2	115.8895	2.534	2	115.8895	2.534	2	115.8895	2.534	2	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:3:1:1:	4:2:2:	C[5]-3:C-4:	N-2:C-3:H-1:H-1:	C[5]-4:S[5]-2:N-2:	N(C[5]C[5]S[5])(CCHH)	C(NC[5])(CCH)(H)2	C[5](C[5]C[5]CC)(S[5]C[5])(NC)	N(C[5]C[5]S[5])(CCHH)	C(NC[5])(CCH)(H)2	C[5](C[5]C[5]CC)(S[5]C[5])(NC){1|C<3>,3|H<1>}	118.2050	0.000	1	118.2050	0.000	1	118.2050	0.000	1	118.2050	0.000	1	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:1:1:	3:2:2:	C[5]-3:C-4:	N-2:C-4:H-1:H-1:	C[5]-3:O[5]-2:N-2:	N(C[5]C[5]O[5])(CCHH)	C(NC[5])(CCHH)(H)2	C[5](C[5]O[5]C)(O[5]C[5])(NC)	N(C[5]C[5]O[5])(CCHH)	C(NC[5])(CCHH)(H)2	C[5](C[5]O[5]C)(O[5]C[5])(NC){1|C<3>}	120.0360	0.000	1	120.0360	0.000	1	120.0360	0.000	1	116.8890	7.804	3	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:1:1:	3:2:2:	C[5]-3:C-4:	N-2:C-4:H-1:H-1:	N[5,5a]-3:S[5]-2:N-2:	N(C[5]N[5,5a]S[5])(CCHH)	C(NC[5])(CCHH)(H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC)	N(C[5]N[5,5a]S[5])(CCHH)	C(NC[5])(CCHH)(H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC){1|S<2>,2|C<3>}	115.9290	0.000	1	115.9290	0.000	1	115.9290	0.000	1	116.8890	7.804	3	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:1:1:	3:2:2:	C[5]-3:C-4:	N-2:C-4:H-1:H-1:	N[5,6a]-3:S[5]-2:N-2:	N(C[5]N[5,6a]S[5])(CCHH)	C(NC[5])(CH3)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(S[5]N[5])(NC)	N(C[5]N[5,6a]S[5])(CCHH)	C(NC[5])(CH3)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(S[5]N[5])(NC){1|H<1>,2|C<3>}	114.7020	0.000	1	114.7020	0.000	1	114.7020	0.000	1	116.8890	7.804	3	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:1:1:	3:3:2:	C[5]-3:C-4:	N-2:C-4:H-1:H-1:	C[5,6]-3:N[5]-3:N-2:	N(C[5]C[5,6]N[5])(CCHH)	C(NC[5])(CCHH)(H)2	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(NC)	N(C[5]C[5,6]N[5])(CCHH)	C(NC[5])(CCHH)(H)2	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(NC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	123.2900	0.000	1	123.2900	0.000	1	123.2900	0.000	1	120.4215	5.429	4	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:1:1:	3:3:2:	C[5]-3:C-4:	N-2:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(CCHH)	C(NC[5])(CF3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC)	N(C[5]C[5,6a]C[5])(CCHH)	C(NC[5])(CF3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC){1|C<4>,1|H<1>,2|C<3>}	119.0850	0.000	1	119.0850	0.000	1	119.0850	0.000	1	120.4215	5.429	4	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:1:1:	3:3:2:	C[5]-3:C-4:	N-2:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:N-2:	N(C[5]C[5,6a]N[5])(CCHH)	C(NC[5])(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC)	N(C[5]C[5,6a]N[5])(CCHH)	C(NC[5])(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC){1|H<1>,1|O<1>,2|C<3>}	119.6555	2.258	2	119.6555	5.098	2	119.6555	5.098	2	120.4215	5.429	4	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:1:1:	3:4:2:	C[5]-3:C-4:	N-2:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N-2:	N(C[5]C[5,6a]C[5])(CCHH)	C(NC[5])(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC)	N(C[5]C[5,6a]C[5])(CCHH)	C(NC[5])(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC){2|C<3>,3|H<1>}	118.8960	0.000	1	118.8960	0.000	1	118.8960	0.000	1	118.8960	0.000	1	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:1:1:	4:2:2:	C[5]-3:C-4:	N-2:C-4:H-1:H-1:	C[5]-4:O[5]-2:N-2:	N(C[5]C[5]O[5])(CCHH)	C(NC[5])(CH3)(H)2	C[5](C[5]C[6a]2C[5])(O[5]C[5])(NC)	N(C[5]C[5]O[5])(CCHH)	C(NC[5])(CH3)(H)2	C[5](C[5]C[6a]2C[5])(O[5]C[5])(NC){1|H<1>,5|C<3>}	117.8190	0.000	1	117.8190	0.000	1	117.8190	0.000	1	117.8190	0.000	1	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:1:1:	4:4:2:	C[5]-3:C-4:	N-2:C-4:H-1:H-1:	B[5]-4:P[5]-4:N-2:	N(C[5]B[5]P[5])(CCHH)	C(NC[5])(CCHH)(H)2	C[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(NC)	N(C[5]B[5]P[5])(CCHH)	C(NC[5])(CCHH)(H)2	C[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(NC){1|Si<4>,1|C<4>,8|C<3>}	121.2315	0.562	2	121.2315	0.316	2	121.2315	0.316	2	121.2315	0.316	2	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:3:1:	3:3:2:	C[5]-3:C-4:	N-2:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(CCCH)	C(NC[5])(CF3)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC)	N(C[5]C[5,6a]C[5])(CCCH)	C(NC[5])(CF3)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC){1|C<4>,1|H<1>,2|C<3>}	118.3090	0.474	2	118.3090	0.224	2	118.3090	0.224	2	118.3090	0.224	2	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:1:	3:2:2:	C[5]-3:C-4:	N-2:C-4:C-4:H-1:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC)	N(C[5]N[5]S[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	117.7110	0.000	1	117.7110	0.000	1	116.9245	1.237	2	116.9245	1.237	2	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:1:	3:2:2:	C[5]-3:C-4:	N-2:C-4:C-4:H-1:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](N[5]C[6a]C[5])(S[5]N[5])(NC)	N(C[5]N[5]S[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](N[5]C[6a]C[5])(S[5]N[5])(NC){3|C<3>}	116.1380	0.000	1	116.1380	0.000	1	116.9245	1.237	2	116.9245	1.237	2	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:1:	3:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:H-1:	N[5]-3:C[5]-3:N-2:	N(C[5]C[5]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC)	N(C[5]C[5]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC){1|H<1>,3|C<3>}	113.8950	0.000	1	113.8950	0.000	1	113.8950	0.000	1	120.2780	81.485	2	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:1:	3:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N(C[5]N[5]2)(CCCH)	C(NC[5])(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NC)	N(C[5]N[5]2)(CCCH)	C(NC[5])(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NC){2|C<3>,2|O<1>}	126.6610	0.000	1	126.6610	0.000	1	126.6610	0.000	1	120.2780	81.485	2	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:1:	4:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:H-1:	C[5,5]-4:N[5]-3:N-2:	N(C[5]C[5,5]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(NC)	N(C[5]C[5,5]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(NC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	122.5580	0.000	1	122.5580	0.000	1	122.5580	0.000	1	122.5580	0.000	1	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:1:	5:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:H-1:	C[3x3,4x5,12x6]-5:N[5]-3:N-2:	N(C[5]C[3x3,4x5,12x6]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](C[3x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6])(N[5]Si[5,5]C)(NC)	N(C[5]C[3x3,4x5,12x6]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](C[3x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6])(N[5]Si[5,5]C)(NC){1|B<4>,1|B<5>,1|C<3>,1|O<2>,3|H<1>,4|B<6>}	125.2180	0.000	1	125.2180	0.000	1	125.2180	0.000	1	125.2180	0.000	1	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:1:	6:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:H-1:	C[5x3,6x5,20x6]-6:N[5]-3:N-2:	N(C[5]C[5x3,6x5,20x6]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]P[5]C)(NC)	N(C[5]C[5x3,6x5,20x6]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]P[5]C)(NC){1|C<3>,4|H<1>,5|B<6>}	124.2810	0.000	1	124.2810	0.000	1	125.6856	0.880	5	125.6856	0.880	5	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:1:	6:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:H-1:	C[5x3,6x5,20x6]-6:N[5]-3:N-2:	N(C[5]C[5x3,6x5,20x6]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[3,5]C)(NC)	N(C[5]C[5x3,6x5,20x6]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[3,5]C)(NC){3|C<3>,4|H<1>,5|B<6>}	126.2730	0.000	1	126.2730	0.000	1	125.6856	0.880	5	125.6856	0.880	5	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:1:	6:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:H-1:	C[5x3,6x5,20x6]-6:N[5]-3:N-2:	N(C[5]C[5x3,6x5,20x6]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[5]C)(NC)	N(C[5]C[5x3,6x5,20x6]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[5]C)(NC){1|B<4>,1|C<3>,4|H<1>,5|B<6>}	125.6370	0.000	1	125.9580	0.490	3	125.6856	0.880	5	125.6856	0.880	5	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:1:	6:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:H-1:	C[5x3,6x5,20x6]-6:N[5]-3:N-2:	N(C[5]C[5x3,6x5,20x6]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[5]C)(NC)	N(C[5]C[5x3,6x5,20x6]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[5]C)(NC){1|C<3>,4|H<1>,5|B<6>}	125.4760	0.000	1	125.9580	0.490	3	125.6856	0.880	5	125.6856	0.880	5	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:1:	6:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:H-1:	C[5x3,6x5,20x6]-6:N[5]-3:N-2:	N(C[5]C[5x3,6x5,20x6]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[5]C)(NC)	N(C[5]C[5x3,6x5,20x6]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[5]C)(NC){1|Si<4>,5|B<6>,5|H<1>}	126.7610	0.000	1	125.9580	0.490	3	125.6856	0.880	5	125.6856	0.880	5	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	2:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	O[5]-2:C[5]-3:N-2:	N(C[5]C[5]O[5])(CC3)	C(NC[5])(CCHH)(CH3)2	C[5](O[5]C[5,5])(C[5]C[5]H)(NC)	N(C[5]C[5]O[5])(CC3)	C(NC[5])(CCHH)(CH3)2	C[5](O[5]C[5,5])(C[5]C[5]H)(NC){3|C<3>}	123.5630	0.000	1	123.5630	0.000	1	123.5630	0.000	1	123.5630	0.000	1	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	3:2:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	C[5,5a]-3:O[5]-2:N-2:	N(C[5]C[5,5a]O[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5,5a]C[5,5a]N[5a])(O[5]C[5])(NC)	N(C[5]C[5,5a]O[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5,5a]C[5,5a]N[5a])(O[5]C[5])(NC){1|C<4>,2|C<3>,2|H<1>}	123.2200	0.000	1	123.2200	0.000	1	123.2200	0.000	1	124.5123	7.061	9	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	3:2:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	C[5,5a]-3:S[5]-2:N-2:	N(C[5]C[5,5a]S[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5,5a]N[5,5a]N[5a])(S[5]C[5])(NC)	N(C[5]C[5,5a]S[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5,5a]N[5,5a]N[5a])(S[5]C[5])(NC){1|H<1>,3|C<3>}	125.2980	0.000	1	125.2980	0.000	1	125.2980	0.000	1	124.5123	7.061	9	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	3:2:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	C[5,6a]-3:O[5]-2:N-2:	N(C[5]C[5,6a]O[5])(CC3)	C(NC[5])(CCHH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC)	N(C[5]C[5,6a]O[5])(CC3)	C(NC[5])(CCHH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	123.8720	0.000	1	123.8720	0.000	1	123.8720	0.000	1	124.5123	7.061	9	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	3:2:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	C[5]-3:N[5]-2:N-2:	N(C[5]C[5]N[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5]C[5]N)(N[5]C[5])(NC)	N(C[5]C[5]N[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5]C[5]N)(N[5]C[5])(NC){1|C<3>,1|C<4>}	124.4050	0.000	1	123.8760	0.215	3	123.8760	0.215	3	124.5123	7.061	9	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	3:2:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	C[5]-3:N[5]-2:N-2:	N(C[5]C[5]N[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5]C[5]N)(N[5]C[5])(NC)	N(C[5]C[5]N[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5]C[5]N)(N[5]C[5])(NC){1|C<3>,1|H<1>}	123.5430	0.000	1	123.8760	0.215	3	123.8760	0.215	3	124.5123	7.061	9	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	3:2:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	C[5]-3:N[5]-2:N-2:	N(C[5]C[5]N[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5]C[5]N)(N[5]C[5])(NC)	N(C[5]C[5]N[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5]C[5]N)(N[5]C[5])(NC){2|C<3>}	123.6800	0.000	1	123.8760	0.215	3	123.8760	0.215	3	124.5123	7.061	9	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	3:2:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	C[5]-3:O[5]-2:N-2:	N(C[5]C[5]O[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5]O[5]C)(O[5]C[5])(NC)	N(C[5]C[5]O[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5]O[5]C)(O[5]C[5])(NC){1|C<3>}	130.6410	0.000	1	130.6410	0.000	1	130.6410	0.000	1	124.5123	7.061	9	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	3:2:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	N[5,5]-3:O[5]-2:N-2:	N(C[5]N[5,5]O[5])(CC3)	C(NC[5])(CH3)3	C[5](N[5,5]N[5,5]C[5])(O[5]B[5])(NC)	N(C[5]N[5,5]O[5])(CC3)	C(NC[5])(CH3)3	C[5](N[5,5]N[5,5]C[5])(O[5]B[5])(NC){1|C<4>,4|C<3>}	120.7550	0.000	1	120.7550	0.000	1	120.7550	0.000	1	124.5123	7.061	9	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	3:2:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	N[5,5]-3:S[5]-2:N-2:	N(C[5]N[5,5]S[5])(CC3)	C(NC[5])(CH3)3	C[5](N[5,5]N[5,5]C[5])(S[5]B[5])(NC)	N(C[5]N[5,5]S[5])(CC3)	C(NC[5])(CH3)3	C[5](N[5,5]N[5,5]C[5])(S[5]B[5])(NC){1|C<4>,4|C<3>}	125.1970	0.000	1	125.1970	0.000	1	125.1970	0.000	1	124.5123	7.061	9	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	3:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	C[5,5a]-3:C[5,6a]-3:N-2:	N(C[5]C[5,5a]C[5,6a])(CC3)	C(NC[5])(CH3)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(NC)	N(C[5]C[5,5a]C[5,6a])(CC3)	C(NC[5])(CH3)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(NC){1|H<1>,1|N<3>,3|C<3>}	123.1270	0.000	1	123.1270	0.000	1	123.1270	0.000	1	126.9032	26.783	11	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	3:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	C[5,6]-3:N[5,6a]-3:N-2:	N(C[5]N[5,6a]C[5,6])(CC3)	C(NC[5])(CH3)3	C[5](C[5,6]C[6,6a]N[5,6])(N[5,6a]C[5,6a]C[6a])(NC)	N(C[5]N[5,6a]C[5,6])(CC3)	C(NC[5])(CH3)3	C[5](C[5,6]C[6,6a]N[5,6])(N[5,6a]C[5,6a]C[6a])(NC){1|C<4>,1|H<1>,4|C<3>}	120.6050	0.000	1	120.6050	0.000	1	120.6050	0.000	1	126.9032	26.783	11	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	3:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC)	N(C[5]C[5,6a]C[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC){1|H<1>,3|C<3>}	128.1780	1.827	2	128.1780	3.339	2	127.4573	3.227	3	126.9032	26.783	11	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	3:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC)	N(C[5]C[5,6a]C[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC){1|H<1>,2|C<3>}	126.0160	0.000	1	126.0160	0.000	1	127.4573	3.227	3	126.9032	26.783	11	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	3:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	C[5,6a]-3:N[5]-3:N-2:	N(C[5]C[5,6a]N[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC)	N(C[5]C[5,6a]N[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC){1|H<1>,1|O<1>,4|C<3>}	127.8630	0.000	1	127.8630	0.000	1	127.8630	0.000	1	126.9032	26.783	11	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	3:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	C[5]-3:N[5]-3:N-2:	N(C[5]C[5]N[5])(CC3)	C(NC[5])(CCHH)(CH3)2	C[5](C[5]C[3]C[5])(N[5]C[5]C)(NC)	N(C[5]C[5]N[5])(CC3)	C(NC[5])(CCHH)(CH3)2	C[5](C[5]C[3]C[5])(N[5]C[5]C)(NC){1|O<1>,2|C<4>,2|H<1>}	131.1750	0.000	1	131.1750	0.000	1	130.9545	21.112	4	126.9032	26.783	11	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	3:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	C[5]-3:N[5]-3:N-2:	N(C[5]C[5]N[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5]C[5]H)(N[5]C[5]C)(NC)	N(C[5]C[5]N[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5]C[5]H)(N[5]C[5]C)(NC){1|C<3>,1|O<1>}	124.4370	0.000	1	124.4370	0.000	1	130.9545	21.112	4	126.9032	26.783	11	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	3:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	C[5]-3:N[5]-3:N-2:	N(C[5]C[5]N[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC)	N(C[5]C[5]N[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC){1|C<4>,1|O<1>,2|C<3>}	134.8040	0.000	1	134.1030	0.983	2	130.9545	21.112	4	126.9032	26.783	11	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	3:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	C[5]-3:N[5]-3:N-2:	N(C[5]C[5]N[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC)	N(C[5]C[5]N[5])(CC3)	C(NC[5])(CH3)3	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC){1|H<1>,1|O<1>,2|C<3>}	133.4020	0.000	1	134.1030	0.983	2	130.9545	21.112	4	126.9032	26.783	11	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	3:3:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	N[5]-3:C[5]-3:N-2:	N(C[5]C[5]N[5])(CC3)	C(NC[5])(CH3)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC)	N(C[5]C[5]N[5])(CC3)	C(NC[5])(CH3)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC){1|H<1>,3|C<3>}	118.1500	0.000	1	118.1500	0.000	1	118.1500	0.000	1	126.9032	26.783	11	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	2:4:4:4:	4:2:2:	C[5]-3:C-4:	N-2:C-4:C-4:C-4:	P[5]-4:O[5]-2:N-2:	N(C[5]O[5]P[5])(CC3)	C(NC[5])(CH3)3	C[5](P[5]C[5]CC)(O[5]B[5])(NC)	N(C[5]O[5]P[5])(CC3)	C(NC[5])(CH3)3	C[5](P[5]C[5]CC)(O[5]B[5])(NC){2|C<3>,2|H<1>}	119.8450	0.000	1	119.8450	0.000	1	119.8450	0.000	1	119.8450	0.000	1	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	3:2:1:1:	3:2:2:	C[5]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	C[5]-3:O[5]-2:N-2:	N(C[5]C[5]O[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5])(H)2	C[5](C[5]O[5]C)(O[5]C[5])(NC)	N(C[5]C[5]O[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5])(H)2	C[5](C[5]O[5]C)(O[5]C[5])(NC){1|C<3>}	117.2480	0.000	1	117.2480	0.000	1	117.2480	0.000	1	117.7187	3.746	3	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	3:2:1:1:	3:2:2:	C[5]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	C[5]-3:S[5]-2:N-2:	N(C[5]C[5]S[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5])(H)2	C[5](C[5]N[4,5]C)(S[5]C[4,5])(NC)	N(C[5]C[5]S[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5])(H)2	C[5](C[5]N[4,5]C)(S[5]C[4,5])(NC){1|C<3>,1|C<4>,1|H<1>}	119.8460	0.000	1	119.8460	0.000	1	119.8460	0.000	1	117.7187	3.746	3	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	3:2:1:1:	3:2:2:	C[5]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5])(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC)	N(C[5]N[5]S[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5])(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC){1|H<1>,2|C<3>}	116.0620	0.000	1	116.0620	0.000	1	116.0620	0.000	1	117.7187	3.746	3	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	3:2:1:1:	3:3:2:	C[5]-3:C-4:	C[6]-3:N-2:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N(C[5]N[5]2)(CC[6]HH)	C(C[6]C[6]N[6])(NC[5])(H)2	C[5](N[5]C[5]C)2(NC)	N(C[5]N[5]2)(CC[6]HH)	C(C[6]C[6]N[6])(NC[5])(H)2	C[5](N[5]C[5]C)2(NC){2|H<1>}	128.9070	0.000	1	128.9070	0.000	1	128.9070	0.000	1	124.2896	18.980	5	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	3:2:1:1:	3:3:2:	C[5]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	C[5,6a]-3:N[5]-3:N-2:	N(C[5]C[5,6a]N[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC)	N(C[5]C[5,6a]N[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC){1|H<1>,1|O<1>,2|C<3>}	120.4370	0.000	1	120.4370	0.000	1	120.4370	0.000	1	124.2896	18.980	5	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	3:2:1:1:	3:3:2:	C[5]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	C[5]-3:C[5]-3:N-2:	N(C[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5])(H)2	C[5](C[5]Se[5]N)(C[5]C[5]C)(NC)	N(C[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5])(H)2	C[5](C[5]Se[5]N)(C[5]C[5]C)(NC){1|C<3>}	128.8580	0.000	1	128.8580	0.000	1	128.8580	0.000	1	124.2896	18.980	5	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	3:2:1:1:	3:3:2:	C[5]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	N[5,6]-3:N[5]-3:N-2:	N(C[5]N[5,6]N[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5])(H)2	C[5](N[5,6]C[5,6]N[6])(N[5]C[5]C)(NC)	N(C[5]N[5,6]N[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5])(H)2	C[5](N[5,6]C[5,6]N[6])(N[5]C[5]C)(NC){1|C<3>,1|O<1>,3|C<4>}	120.0960	0.000	1	120.0960	0.000	1	120.0960	0.000	1	124.2896	18.980	5	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	3:2:1:1:	3:3:2:	C[5]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N(C[5]N[5]2)(CC[6a]HH)	C(C[6a]N[6a]2)(NC[5])(H)2	C[5](N[5]C[5]H)2(NC)	N(C[5]N[5]2)(CC[6a]HH)	C(C[6a]N[6a]2)(NC[5])(H)2	C[5](N[5]C[5]H)2(NC){4|H<1>}	123.1500	0.000	1	123.1500	0.000	1	123.1500	0.000	1	124.2896	18.980	5	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	3:4:2:1:	3:3:2:	C[5]-3:C-4:	C[6a]-3:C-4:N-2:H-1:	C[5,6a]-3:C[5,6a]-3:N-2:	N(C[5]C[5,6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(NC)	N(C[5]C[5,6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(NC){2|H<1>,4|C<3>}	120.4620	0.000	1	120.4620	0.000	1	120.4620	0.000	1	120.4620	0.000	1	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	4:2:1:1:	3:4:2:	C[5]-3:C-4:	C-4:N-2:H-1:H-1:	C[5,6a]-3:C[5]-4:N-2:	N(C[5]C[5,6a]C[5])(CCHH)	C(CC[5a]HH)(NC[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(NC)	N(C[5]C[5,6a]C[5])(CCHH)	C(CC[5a]HH)(NC[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(NC){1|N<3>,2|H<1>,3|C<3>}	120.5910	0.000	1	120.5910	0.000	1	120.5910	0.000	1	120.5910	0.000	1	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	4:2:3:1:	3:2:2:	C[5]-3:C-4:	C-4:N-2:C-3:H-1:	C[5]-3:O[5]-2:N-2:	N(C[5]C[5]O[5])(CCCH)	C(CC[6a]HH)(NC[5])(CNO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(NC)	N(C[5]C[5]O[5])(CCCH)	C(CC[6a]HH)(NC[5])(CNO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(NC){1|C<4>,1|O<1>}	119.1850	0.000	1	119.1850	0.000	1	119.1850	0.000	1	119.1850	0.000	1	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	4:2:4:1:	3:3:2:	C[5]-3:C-4:	C-4:N-2:C-4:H-1:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(CCCH)	C(CC[6a]CH)(NC[5])(CF3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC)	N(C[5]C[5,6a]C[5])(CCCH)	C(CC[6a]CH)(NC[5])(CF3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC){1|Cl<1>,1|C<4>,2|C<3>}	120.6095	1.859	2	120.6095	3.456	2	120.6095	3.456	2	121.1063	2.468	3	122.3311	21.293	63	122.0815	21.783	66
941	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:	4:2:4:1:	3:3:2:	C[5]-3:C-4:	C-4:N-2:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N(C[5]N[5]2)(CCCH)	C(CC[6a]HH)(NC[5])(CHHO)(H)	C[5](N[5]C[5]C)2(NC)	N(C[5]N[5]2)(CCCH)	C(CC[6a]HH)(NC[5])(CHHO)(H)	C[5](N[5]C[5]C)2(NC){2|C<3>,2|H<1>}	122.1000	0.000	1	122.1000	0.000	1	122.1000	0.000	1	121.1063	2.468	3	122.3311	21.293	63	122.0815	21.783	66
941	490	830	0:SP2_SP-NON_SP3	N	C	F	4:1:	4:2:1:1:	2:	C-4:F-1:	C[4]-4:N-2:H-1:H-1:	N-2:	N(CC[4]HH)(F)	C(C[4]C[4]2C)(NF)(H)2	F(NC)	N(CC[4]HH)(F)	C(C[4]C[4]2C)(NF)(H)2	F(NC)	103.9190	0.000	1	103.9190	0.000	1	103.9190	0.000	1	103.9190	0.000	1	103.9190	0.000	1	103.9190	0.000	1
941	490	846	0:SP2_SP2_SP3	N	C	C[4,5]	3:4:	2:4:4:4:	3:3:2:	C[4,5]-3:C-4:	N-2:C-4:C-4:C-4:	P[4,5,5]-3:P[4,5,5]-3:N-2:	N(C[4,5]P[4,5,5]2)(CC3)	C(NC[4,5])(CH3)3	C[4,5](P[4,5,5]C[5,5]N[4,5])(P[4,5,5]N[4,5]N[5,5])(NC)	N(C[4,5]P[4,5,5]2)(CC3)	C(NC[4,5])(CH3)3	C[4,5](P[4,5,5]C[5,5]N[4,5])(P[4,5,5]N[4,5]N[5,5])(NC){1|N<2>,2|C<3>}	122.9670	0.000	1	122.9670	0.000	1	122.9670	0.000	1	122.9670	0.000	1	122.9670	0.000	1	118.5494	9.895	5
941	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:	2:4:4:1:	3:2:2:	C[4]-3:C-4:	N-2:C-4:C-4:H-1:	N[4]-3:S[4]-2:N-2:	N(C[4]N[4]S[4])(CCCH)	C(NC[4])(CH3)2(H)	C[4](N[4]P[4]C)(S[4]P[4])(NC)	N(C[4]N[4]S[4])(CCCH)	C(NC[4])(CH3)2(H)	C[4](N[4]P[4]C)(S[4]P[4])(NC){1|C<4>,1|W<6>}	119.2570	0.000	1	119.2570	0.000	1	119.2570	0.000	1	119.2570	0.000	1	117.4450	5.061	4	118.5494	9.895	5
941	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:	2:4:4:1:	4:3:2:	C[4]-3:C-4:	N-2:C-4:C-4:H-1:	P[4]-4:N[4]-3:N-2:	N(C[4]N[4]P[4])(CCCH)	C(NC[4])(CH3)2(H)	C[4](P[4]C[4]CW)(N[4]C[4]C)(NC)	N(C[4]N[4]P[4])(CCCH)	C(NC[4])(CH3)2(H)	C[4](P[4]C[4]CW)(N[4]C[4]C)(NC){1|O<1>}	116.7300	0.000	1	116.7300	0.000	1	116.7300	0.000	1	117.9745	3.098	2	117.4450	5.061	4	118.5494	9.895	5
941	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:	2:4:4:1:	4:3:2:	C[4]-3:C-4:	N-2:C-4:C-4:H-1:	P[4]-4:P[4]-3:N-2:	N(C[4]P[4]2)(CCCH)	C(NC[4])(CH3)2(H)	C[4](P[4]P[4]CC)(P[4]P[4]C)(NC)	N(C[4]P[4]2)(CCCH)	C(NC[4])(CH3)2(H)	C[4](P[4]P[4]CC)(P[4]P[4]C)(NC){1|C<4>}	119.2190	0.000	1	119.2190	0.000	1	119.2190	0.000	1	117.9745	3.098	2	117.4450	5.061	4	118.5494	9.895	5
941	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:	4:2:1:1:	3:4:2:	C[4]-3:C-4:	S-4:N-2:H-1:H-1:	C[4]-3:C[4]-4:N-2:	N(C[4]C[4]2)(CHHS)	C(SC[6a]OO)(NC[4])(H)2	C[4](C[4]C[6a]C[4])(C[4]C[4]HH)(NC)	N(C[4]C[4]2)(CHHS)	C(SC[6a]OO)(NC[4])(H)2	C[4](C[4]C[6a]C[4])(C[4]C[4]HH)(NC){1|Pd<4>,2|C<3>}	114.5740	0.000	1	114.5740	0.000	1	114.5740	0.000	1	114.5740	0.000	1	117.4450	5.061	4	118.5494	9.895	5
941	490	849	0:SP2_SP3_SP3	N	C	P[6,6]	4:4:	3:3:3:2:	4:4:4:2:	P[6,6]-4:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	P[6,6]-4:C[6]-4:C[6]-4:N-2:	N(P[6,6]P[6,6]C[6]2)(CC[6a]3)	C(C[6a]C[6a]2)3(NP[6,6])	P[6,6](P[6,6]C[6]2N)(C[6]C[6]HH)2(NC)	N(P[6,6]P[6,6]C[6]2)(CC[6a]3)	C(C[6a]C[6a]2)3(NP[6,6])	P[6,6](P[6,6]C[6]2N)(C[6]C[6]HH)2(NC){2|C<3>,2|C<4>,4|H<1>}	131.4850	0.000	1	131.4850	0.000	1	131.4850	0.000	1	131.4850	0.000	1	131.4850	0.000	1	126.0639	19.092	39
941	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:	2:2:1:1:	2:2:2:2:	P[6]-4:C-4:	N-2:C-2:H-1:H-1:	N[6]-2:N[6]-2:N-2:N-2:	N(P[6]N[6]2N)(CCHH)	C(NP[6])(CC)(H)2	P[6](N[6]P[6])2(NC)2	N(P[6]N[6]2N)(CCHH)	C(NP[6])(CC)(H)2	P[6](N[6]P[6])2(NC)2{5|N<2>}	122.5202	2.600	6	122.5202	6.758	6	122.5202	6.758	6	122.5202	6.758	6	125.9212	18.793	38	126.0639	19.092	39
941	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	N-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-2:Cl-1:	N(P[6]N[6]2Cl)(CCHH)	C(NP[6])(CCHH)(H)2	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl)	N(P[6]N[6]2Cl)(CCHH)	C(NP[6])(CCHH)(H)2	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl){1|N<3>,2|C<3>,2|N<2>}	115.0530	0.000	1	115.0530	0.000	1	120.4580	14.422	4	120.4580	14.422	4	125.9212	18.793	38	126.0639	19.092	39
941	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	N-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-2:Cl-1:	N(P[6]N[6]2Cl)(CCHH)	C(NP[6])(CH3)(H)2	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl)	N(P[6]N[6]2Cl)(CCHH)	C(NP[6])(CH3)(H)2	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	121.2850	0.000	1	122.2597	2.157	3	120.4580	14.422	4	120.4580	14.422	4	125.9212	18.793	38	126.0639	19.092	39
941	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	N-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-2:Cl-1:	N(P[6]N[6]2Cl)(CCHH)	C(NP[6])(CH3)(H)2	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl)	N(P[6]N[6]2Cl)(CCHH)	C(NP[6])(CH3)(H)2	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl){2|Cl<1>,1|O<2>,2|N<2>}	122.7470	1.700	2	122.2597	2.157	3	120.4580	14.422	4	120.4580	14.422	4	125.9212	18.793	38	126.0639	19.092	39
941	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:	2:4:1:1:	2:2:2:2:	P[6]-4:C-4:	N-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-2:N-2:	N(P[6]N[6]2N)(CCHH)	C(NP[6])(CCCH)(H)2	P[6](N[6]P[6])2(NC)2	N(P[6]N[6]2N)(CCHH)	C(NP[6])(CCCH)(H)2	P[6](N[6]P[6])2(NC)2{1|N<3>,4|N<2>}	121.4330	0.936	2	121.4330	0.876	2	121.4330	0.876	2	122.4308	3.349	4	125.9212	18.793	38	126.0639	19.092	39
941	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:	2:4:1:1:	2:2:2:2:	P[6]-4:C-4:	N-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-2:O-2:	N(P[6]N[6]2O)(CCHH)	C(NP[6])(CHHO)(H)2	P[6](N[6]P[6])2(NC)(OC)	N(P[6]N[6]2O)(CCHH)	C(NP[6])(CHHO)(H)2	P[6](N[6]P[6])2(NC)(OC){3|Cl<1>,1|N<2>,1|O<2>}	125.0390	0.000	1	125.0390	0.000	1	125.0390	0.000	1	122.4308	3.349	4	125.9212	18.793	38	126.0639	19.092	39
941	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:	2:4:1:1:	2:2:2:2:	P[6]-4:C-4:	N-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:S-2:N-2:	N(P[6]N[6]2S)(CCHH)	C(NP[6])(CCHH)(H)2	P[6](N[6]P[6])2(SC[6a])(NC)	N(P[6]N[6]2S)(CCHH)	C(NP[6])(CCHH)(H)2	P[6](N[6]P[6])2(SC[6a])(NC){4|Cl<1>,1|N<2>}	121.8180	0.000	1	121.8180	0.000	1	121.8180	0.000	1	122.4308	3.349	4	125.9212	18.793	38	126.0639	19.092	39
941	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:	2:4:1:1:	3:2:2:2:	P[6]-4:C-4:	N-2:C-4:H-1:H-1:	N[6]-3:N[6]-2:N-2:N-2:	N(P[6]N[6]2N)(CCHH)	C(NP[6])(CCCH)(H)2	P[6](N[6]P[6]C)(N[6]P[6])(NC)2	N(P[6]N[6]2N)(CCHH)	C(NP[6])(CCCH)(H)2	P[6](N[6]P[6]C)(N[6]P[6])(NC)2{5|N<2>}	122.5798	1.261	4	122.5798	1.590	4	122.5798	1.590	4	122.5798	1.590	4	125.9212	18.793	38	126.0639	19.092	39
941	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:	2:4:4:1:	2:2:2:2:	P[6]-4:C-4:	N-2:C-4:C-4:H-1:	N[6]-2:N[6]-2:O-2:N-2:	N(P[6]N[6]2O)(CCCH)	C(NP[6])(CH3)2(H)	P[6](N[6]P[6])2(OP[6])(NC)	N(P[6]N[6]2O)(CCCH)	C(NP[6])(CH3)2(H)	P[6](N[6]P[6])2(OP[6])(NC){4|Cl<1>,1|N<2>}	125.9900	0.000	1	125.9900	0.000	1	125.9900	0.000	1	125.9900	0.000	1	125.9212	18.793	38	126.0639	19.092	39
941	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:	2:4:4:4:	2:2:2:1:	P[6]-4:C-4:	N-2:C-4:C-4:C-4:	N[6]-2:N[6]-2:N-2:Cl-1:	N(P[6]N[6]2Cl)(CC3)	C(NP[6])(CH3)3	P[6](N[6]P[6])2(NC)(Cl)	N(P[6]N[6]2Cl)(CC3)	C(NP[6])(CH3)3	P[6](N[6]P[6])2(NC)(Cl){4|Cl<1>,1|N<2>}	128.9340	0.000	1	128.9340	0.000	1	128.9340	0.000	1	128.9340	0.000	1	125.9212	18.793	38	126.0639	19.092	39
941	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:	2:4:4:4:	2:2:2:2:	P[6]-4:C-4:	N-2:C-4:C-4:C-4:	N[6]-2:N[6]-2:N-2:N-2:	N(P[6]N[6]2N)(CC3)	C(NP[6])(CH3)3	P[6](N[6]P[6])2(NC)2	N(P[6]N[6]2N)(CC3)	C(NP[6])(CH3)3	P[6](N[6]P[6])2(NC)2{1|N<3>,4|N<2>}	129.8167	1.986	6	129.8167	3.944	6	129.8167	3.944	6	129.5801	3.678	7	125.9212	18.793	38	126.0639	19.092	39
941	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:	2:4:4:4:	2:2:2:2:	P[6]-4:C-4:	N-2:C-4:C-4:C-4:	N[6]-2:N[6]-2:N-2:O-2:	N(P[6]N[6]2O)(CC3)	C(NP[6])(CH3)3	P[6](N[6]P[6])2(NC)(OC)	N(P[6]N[6]2O)(CC3)	C(NP[6])(CH3)3	P[6](N[6]P[6])2(NC)(OC){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	128.1610	0.000	1	128.1610	0.000	1	128.1610	0.000	1	129.5801	3.678	7	125.9212	18.793	38	126.0639	19.092	39
941	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:	2:4:4:4:	2:2:3:2:	P[6]-4:C-4:	N-2:C-4:C-4:C-4:	N[6]-2:N[6]-2:N-3:N-2:	N(P[6]N[6]2N)(CC3)	C(NP[6])(CH3)3	P[6](N[6]P[6])2(NCH)(NC)	N(P[6]N[6]2N)(CC3)	C(NP[6])(CH3)3	P[6](N[6]P[6])2(NCH)(NC){2|Cl<1>,1|N<3>,2|N<2>}	129.2105	1.795	2	130.1737	4.395	3	130.1737	4.395	3	130.1737	4.395	3	125.9212	18.793	38	126.0639	19.092	39
941	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:	2:4:4:4:	2:2:3:2:	P[6]-4:C-4:	N-2:C-4:C-4:C-4:	N[6]-2:N[6]-2:N-3:N-2:	N(P[6]N[6]2N)(CC3)	C(NP[6])(CH3)3	P[6](N[6]P[6])2(NCH)(NC)	N(P[6]N[6]2N)(CC3)	C(NP[6])(CH3)3	P[6](N[6]P[6])2(NCH)(NC){5|N<2>}	132.1000	0.000	1	130.1737	4.395	3	130.1737	4.395	3	130.1737	4.395	3	125.9212	18.793	38	126.0639	19.092	39
941	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:	2:4:4:4:	3:2:2:2:	P[6]-4:C-4:	N-2:C-4:C-4:C-4:	N[6]-3:N[6]-2:N-2:N-2:	N(P[6]N[6]2N)(CC3)	C(NP[6])(CH3)3	P[6](N[6]P[6]C)(N[6]P[6])(NC)2	N(P[6]N[6]2N)(CC3)	C(NP[6])(CH3)3	P[6](N[6]P[6]C)(N[6]P[6])(NC)2{2|Cl<1>,3|N<2>}	129.7940	0.574	3	130.1957	0.384	7	130.1957	0.384	7	130.1957	0.384	7	125.9212	18.793	38	126.0639	19.092	39
941	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:	2:4:4:4:	3:2:2:2:	P[6]-4:C-4:	N-2:C-4:C-4:C-4:	N[6]-3:N[6]-2:N-2:N-2:	N(P[6]N[6]2N)(CC3)	C(NP[6])(CH3)3	P[6](N[6]P[6]C)(N[6]P[6])(NC)2	N(P[6]N[6]2N)(CC3)	C(NP[6])(CH3)3	P[6](N[6]P[6]C)(N[6]P[6])(NC)2{5|N<2>}	130.4970	0.515	4	130.1957	0.384	7	130.1957	0.384	7	130.1957	0.384	7	125.9212	18.793	38	126.0639	19.092	39
941	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:	3:2:4:1:	2:2:2:1:	P[6]-4:C-4:	C[6a]-3:N-2:C-4:H-1:	O[6]-2:O[6]-2:N-2:S-1:	N(P[6]O[6]2S)(CC[6a]CH)	C(C[6a]C[6a]2)(NP[6])(CH3)(H)	P[6](O[6]C[6])2(NC)(S)	N(P[6]O[6]2S)(CC[6a]CH)	C(C[6a]C[6a]2)(NP[6])(CH3)(H)	P[6](O[6]C[6])2(NC)(S){2|H<1>,3|C<4>}	124.1360	0.000	1	124.1360	0.000	1	124.1360	0.000	1	124.1360	0.000	1	125.9212	18.793	38	126.0639	19.092	39
941	490	856	0:SP2_SP2_SP3	N	C	N[6]	3:4:	3:2:3:1:	3:3:2:	N[6]-3:C-4:	C[6a]-3:N-2:C-3:H-1:	C[6]-3:C[6]-3:N-2:	N(N[6]C[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(NN[6])(CCH)(H)	N[6](C[6]C[6]H)2(NC)	N(N[6]C[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(NN[6])(CCH)(H)	N[6](C[6]C[6]H)2(NC){1|C<3>,2|H<1>}	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1
941	490	863	0:SP2_SP2_SP3	N	C	O	4:1:	4:2:1:1:	2:	C-4:O-1:	C-4:N-2:F-1:F-1:	N-2:	N(CCFF)(O)	C(CC[6a]HH)(NO)(F)2	O(NC)	N(CCFF)(O)	C(CC[6a]HH)(NO)(F)2	O(NC)	110.6900	0.000	1	110.6900	0.000	1	110.6900	0.000	1	110.6900	0.000	1	110.6900	0.000	1	110.6900	0.000	1
941	490	867	0:SP2_SP2_SP3	N	C	Se[4]	3:4:	2:4:4:4:	3:3:2:	Se[4]-3:C-4:	N-2:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-2:	N(Se[4]N[4]2)(CC3)	C(NSe[4])(CH3)3	Se[4](N[4]S[4]C)2(NC)	N(Se[4]N[4]2)(CC3)	C(NSe[4])(CH3)3	Se[4](N[4]S[4]C)2(NC){2|O<1>}	131.2960	0.410	2	131.2960	0.168	2	130.3817	2.592	3	130.3817	2.592	3	130.3817	2.592	3	130.3817	2.592	3
941	490	867	0:SP2_SP2_SP3	N	C	Se[4]	3:4:	2:4:4:4:	3:3:2:	Se[4]-3:C-4:	N-2:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-2:	N(Se[4]N[4]2)(CC3)	C(NSe[4])(CH3)3	Se[4](N[4]Se[4]C)2(NC)	N(Se[4]N[4]2)(CC3)	C(NSe[4])(CH3)3	Se[4](N[4]Se[4]C)2(NC){1|O<1>}	128.5530	0.000	1	128.5530	0.000	1	130.3817	2.592	3	130.3817	2.592	3	130.3817	2.592	3	130.3817	2.592	3
941	490	880	0:SP2_SP3_SP3	N	C	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:C-4:	C-4:C-4:C-4:N-2:	C-4:C-4:C-4:N-2:	N(SiC3)(CC3)	C(CH3)3(NSi)	Si(CHHN)(CH3)2(NC)	N(SiC3)(CC3)	C(CH3)3(NSi)	Si(CHHN)(CH3)2(NC)	132.7280	0.000	1	132.7280	0.000	1	132.7280	0.000	1	132.7280	0.000	1	132.7280	0.000	1	132.7280	0.000	1
941	490	882	0:SP2_SP3_SP3	N	C	P[4]	3:4:	2:4:4:4:	3:3:2:	P[4]-3:C-4:	N-2:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-2:	N(P[4]N[4]2)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(NC)	N(P[4]N[4]2)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(NC){1|C<3>,1|N<2>}	129.3890	0.000	1	123.9245	21.674	4	123.9245	21.674	4	123.9245	21.674	4	123.9245	21.674	4	123.9245	21.674	4
941	490	882	0:SP2_SP3_SP3	N	C	P[4]	3:4:	2:4:4:4:	3:3:2:	P[4]-3:C-4:	N-2:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-2:	N(P[4]N[4]2)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(NC)	N(P[4]N[4]2)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(NC){1|C<4>,1|N<3>}	126.1880	0.000	1	123.9245	21.674	4	123.9245	21.674	4	123.9245	21.674	4	123.9245	21.674	4	123.9245	21.674	4
941	490	882	0:SP2_SP3_SP3	N	C	P[4]	3:4:	2:4:4:4:	3:3:2:	P[4]-3:C-4:	N-2:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-2:	N(P[4]N[4]2)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(NC)	N(P[4]N[4]2)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(NC){1|N<2>}	120.0605	0.421	2	123.9245	21.674	4	123.9245	21.674	4	123.9245	21.674	4	123.9245	21.674	4	123.9245	21.674	4
941	490	887	0:SP2_SP3_SP3	N	C	S	3:4:	4:4:2:1:	3:2:1:	S-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:	N(SC[6a]O)(CCCH)	C(CC[6a]CH)(CSiHH)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)	N(SC[6a]O)(CCCH)	C(CC[6a]CH)(CSiHH)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)	123.8790	0.000	1	123.8790	0.000	1	123.3105	0.646	2	123.3105	0.646	2	120.1659	22.273	22	120.1659	22.273	22
941	490	887	0:SP2_SP3_SP3	N	C	S	3:4:	4:4:2:1:	3:2:1:	S-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:	N(SC[6a]O)(CCCH)	C(CClCC)(CCHN)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)	N(SC[6a]O)(CCCH)	C(CClCC)(CCHN)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)	122.7420	0.000	1	122.7420	0.000	1	123.3105	0.646	2	123.3105	0.646	2	120.1659	22.273	22	120.1659	22.273	22
941	490	887	0:SP2_SP3_SP3	N	C	S	4:3:	3:4:2:1:	4:2:1:	C-4:S-3:	C[5a]-3:C-4:N-2:H-1:	C-4:N-2:O-1:	N(CC[5a]CH)(SCO)	C(C[5a]C[5a]S[5a])(CF3)(NS)(H)	S(CC3)(NC)(O)	N(CC[5a]CH)(SCO)	C(C[5a]C[5a]S[5a])(CF3)(NS)(H)	S(CC3)(NC)(O)	118.3820	0.000	1	118.3820	0.000	1	118.3820	0.000	1	116.4292	8.898	4	120.1659	22.273	22	120.1659	22.273	22
941	490	887	0:SP2_SP3_SP3	N	C	S	4:3:	3:4:2:1:	4:2:1:	C-4:S-3:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:O-1:	N(CC[6a]CH)(SCO)	C(C[6a]C[6a]2)(CCHH)(NS)(H)	S(CC3)(NC)(O)	N(CC[6a]CH)(SCO)	C(C[6a]C[6a]2)(CCHH)(NS)(H)	S(CC3)(NC)(O)	114.5030	0.000	1	114.5030	0.000	1	117.0075	12.545	2	116.4292	8.898	4	120.1659	22.273	22	120.1659	22.273	22
941	490	887	0:SP2_SP3_SP3	N	C	S	4:3:	3:4:2:1:	4:2:1:	C-4:S-3:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:O-1:	N(CC[6a]CH)(SCO)	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	S(CC3)(NC)(O)	N(CC[6a]CH)(SCO)	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	S(CC3)(NC)(O)	119.5120	0.000	1	119.5120	0.000	1	117.0075	12.545	2	116.4292	8.898	4	120.1659	22.273	22	120.1659	22.273	22
941	490	887	0:SP2_SP3_SP3	N	C	S	4:3:	3:4:2:1:	4:2:1:	C-4:S-3:	C[6a]-3:C[6]-4:N-2:H-1:	C-4:N-2:O-1:	N(CC[6a]C[6]H)(SCO)	C(C[6a]C[6a]2)(C[6]C[6]2F)(NS)(H)	S(CC3)(NC)(O)	N(CC[6a]C[6]H)(SCO)	C(C[6a]C[6a]2)(C[6]C[6]2F)(NS)(H)	S(CC3)(NC)(O)	113.3200	0.000	1	113.3200	0.000	1	113.3200	0.000	1	116.4292	8.898	4	120.1659	22.273	22	120.1659	22.273	22
941	490	887	0:SP2_SP3_SP3	N	C	S	4:3:	4:2:2:1:	4:2:1:	C-4:S-3:	C-4:C-2:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(SCO)	C(CC3)(CC)(NS)(H)	S(CC3)(NC)(O)	N(CCCH)(SCO)	C(CC3)(CC)(NS)(H)	S(CC3)(NC)(O)	121.3570	0.000	1	121.3570	0.000	1	116.5690	45.850	2	116.5690	45.850	2	120.1659	22.273	22	120.1659	22.273	22
941	490	887	0:SP2_SP3_SP3	N	C	S	4:3:	4:2:2:1:	4:2:1:	C-4:S-3:	C-4:C-2:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(SCO)	C(CCCH)(CC)(NS)(H)	S(CC3)(NC)(O)	N(CCCH)(SCO)	C(CCCH)(CC)(NS)(H)	S(CC3)(NC)(O)	111.7810	0.000	1	111.7810	0.000	1	116.5690	45.850	2	116.5690	45.850	2	120.1659	22.273	22	120.1659	22.273	22
941	490	887	0:SP2_SP3_SP3	N	C	S	4:3:	4:3:2:1:	4:2:1:	C-4:S-3:	C[5]-4:C[6a]-3:N-2:H-1:	C-4:N-2:O-1:	N(CC[6a]C[5]H)(SCO)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NS)(H)	S(CC3)(NC)(O)	N(CC[6a]C[5]H)(SCO)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NS)(H)	S(CC3)(NC)(O)	116.2890	0.000	1	116.2890	0.000	1	115.7100	0.323	3	115.7100	0.323	3	120.1659	22.273	22	120.1659	22.273	22
941	490	887	0:SP2_SP3_SP3	N	C	S	4:3:	4:3:2:1:	4:2:1:	C-4:S-3:	C[5]-4:C[6a]-3:N-2:H-1:	C-4:N-2:O-1:	N(CC[6a]C[5]H)(SCO)	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NS)(H)	S(CC3)(NC)(O)	N(CC[6a]C[5]H)(SCO)	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NS)(H)	S(CC3)(NC)(O)	115.4205	0.378	2	115.4205	0.143	2	115.7100	0.323	3	115.7100	0.323	3	120.1659	22.273	22	120.1659	22.273	22
941	490	887	0:SP2_SP3_SP3	N	C	S	4:3:	4:4:2:1:	4:2:1:	C-4:S-3:	C-4:C-4:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(SCO)	C(CC[6a]2O)(CCHH)(NS)(H)	S(CC3)(NC)(O)	N(CCCH)(SCO)	C(CC[6a]2O)(CCHH)(NS)(H)	S(CC3)(NC)(O)	119.3310	0.000	1	119.3310	0.000	1	119.3310	0.000	1	119.5070	1.216	3	120.1659	22.273	22	120.1659	22.273	22
941	490	887	0:SP2_SP3_SP3	N	C	S	4:3:	4:4:2:1:	4:2:1:	C-4:S-3:	C[5]-4:C-4:N-2:H-1:	C-4:N-2:O-1:	N(CC[5]CH)(SCO)	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	S(CC3)(NC)(O)	N(CC[5]CH)(SCO)	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	S(CC3)(NC)(O)	118.5030	0.000	1	118.5030	0.000	1	119.5950	2.385	2	119.5070	1.216	3	120.1659	22.273	22	120.1659	22.273	22
941	490	887	0:SP2_SP3_SP3	N	C	S	4:3:	4:4:2:1:	4:2:1:	C-4:S-3:	C[5]-4:C-4:N-2:H-1:	C-4:N-2:O-1:	N(CC[5]CH)(SCO)	C(C[5]C[5]O[5]H)(CHHN)(NS)(H)	S(CC3)(NC)(O)	N(CC[5]CH)(SCO)	C(C[5]C[5]O[5]H)(CHHN)(NS)(H)	S(CC3)(NC)(O)	120.6870	0.000	1	120.6870	0.000	1	119.5950	2.385	2	119.5070	1.216	3	120.1659	22.273	22	120.1659	22.273	22
941	490	887	0:SP2_SP3_SP3	N	C	S	4:3:	4:4:4:2:	2:2:2:	C-4:S-3:	C-4:C-4:C-4:N-2:	N-2:N-2:N-2:	N(CC3)(SNN)	C(CH3)3(NS)	S(NC)3	N(CC3)(SNN)	C(CH3)3(NS)	S(NC)3	125.9010	0.310	6	125.9010	0.096	6	125.9010	0.096	6	125.9010	0.096	6	120.1659	22.273	22	120.1659	22.273	22
941	490	887	0:SP2_SP3_SP3	N	C	S	4:3:	4:4:4:2:	4:2:1:	C-4:S-3:	C-4:C-4:C-4:N-2:	C-4:N-2:O-1:	N(CC3)(SCO)	C(CCCH)(CF3)(CH3)(NS)	S(CC3)(NC)(O)	N(CC3)(SCO)	C(CCCH)(CF3)(CH3)(NS)	S(CC3)(NC)(O)	122.1710	0.000	1	122.1710	0.000	1	122.1710	0.000	1	122.1710	0.000	1	120.1659	22.273	22	120.1659	22.273	22
941	490	887	0:SP2_SP3_SP3	N	C	S	4:3:	4:4:4:2:	4:3:2:	C-4:S-3:	C-4:C-4:C-4:N-2:	C-4:N-3:N-2:	N(CC3)(SCN)	C(CH3)3(NS)	S(CH3)(NCH)(NC)	N(CC3)(SCN)	C(CH3)3(NS)	S(CH3)(NCH)(NC)	114.9460	0.000	1	114.9460	0.000	1	114.9460	0.000	1	114.9460	0.000	1	120.1659	22.273	22	120.1659	22.273	22
941	490	899	0:SP2_SP-NON_SP3	N	C	C	4:1:	3:2:1:1:	2:	C-4:C-1:	C[6a]-3:N-2:H-1:H-1:	N-2:	N(CC[6a]HH)(C)	C(C[6a]C[6a]2)(NC)(H)2	C(NC)	N(CC[6a]HH)(C)	C(C[6a]C[6a]2)(NC)(H)2	C(NC)	178.9660	0.000	1	178.9660	0.000	1	178.9660	0.000	1	178.9660	0.000	1	177.0785	2.246	11	177.0785	2.246	11
941	490	899	0:SP2_SP-NON_SP3	N	C	C	4:1:	3:4:3:2:	2:	C-4:C-1:	C[6a]-3:C-4:C-3:N-2:	N-2:	N(CC[6a]CC)(C)	C(C[6a]C[6a]2)(CCCH)(COO)(NC)	C(NC)	N(CC[6a]CC)(C)	C(C[6a]C[6a]2)(CCCH)(COO)(NC)	C(NC)	175.7020	1.741	2	175.7020	3.031	2	176.4087	3.013	3	176.1453	2.287	4	177.0785	2.246	11	177.0785	2.246	11
941	490	899	0:SP2_SP-NON_SP3	N	C	C	4:1:	3:4:3:2:	2:	C-4:C-1:	C[6a]-3:C-4:C-3:N-2:	N-2:	N(CC[6a]CC)(C)	C(C[6a]C[6a]2)(CCHH)(COO)(NC)	C(NC)	N(CC[6a]CC)(C)	C(C[6a]C[6a]2)(CCHH)(COO)(NC)	C(NC)	177.8220	0.000	1	177.8220	0.000	1	176.4087	3.013	3	176.1453	2.287	4	177.0785	2.246	11	177.0785	2.246	11
941	490	899	0:SP2_SP-NON_SP3	N	C	C	4:1:	3:4:3:2:	2:	C-4:C-1:	C[6a]-3:C[5]-4:C-3:N-2:	N-2:	N(CC[6a]C[5]C)(C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(NC)	C(NC)	N(CC[6a]C[5]C)(C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(NC)	C(NC)	175.3550	0.000	1	175.3550	0.000	1	175.3550	0.000	1	176.1453	2.287	4	177.0785	2.246	11	177.0785	2.246	11
941	490	899	0:SP2_SP-NON_SP3	N	C	C	4:1:	4:2:1:1:	2:	C-4:C-1:	C-4:N-2:H-1:H-1:	N-2:	N(CCHH)(C)	C(CC3)(NC)(H)2	C(NC)	N(CCHH)(C)	C(CC3)(NC)(H)2	C(NC)	178.1210	0.000	1	178.1210	0.000	1	178.8300	1.005	2	178.8300	1.005	2	177.0785	2.246	11	177.0785	2.246	11
941	490	899	0:SP2_SP-NON_SP3	N	C	C	4:1:	4:2:1:1:	2:	C-4:C-1:	C-4:N-2:H-1:H-1:	N-2:	N(CCHH)(C)	C(CF3)(NC)(H)2	C(NC)	N(CCHH)(C)	C(CF3)(NC)(H)2	C(NC)	179.5390	0.000	1	179.5390	0.000	1	178.8300	1.005	2	178.8300	1.005	2	177.0785	2.246	11	177.0785	2.246	11
941	490	899	0:SP2_SP-NON_SP3	N	C	C	4:1:	4:3:2:1:	2:	C-4:C-1:	C-4:C-3:N-2:H-1:	N-2:	N(CCCH)(C)	C(CH3)(CNO)(NC)(H)	C(NC)	N(CCCH)(C)	C(CH3)(CNO)(NC)(H)	C(NC)	176.3140	0.491	2	176.3140	0.241	2	176.3140	0.241	2	176.3140	0.241	2	177.0785	2.246	11	177.0785	2.246	11
941	490	899	0:SP2_SP-NON_SP3	N	C	C	4:1:	4:3:3:2:	2:	C-4:C-1:	C[5]-4:C[6a]-3:C-3:N-2:	N-2:	N(CC[6a]C[5]C)(C)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(NC)	C(NC)	N(CC[6a]C[5]C)(C)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(NC)	C(NC)	177.0090	0.000	1	177.0090	0.000	1	177.0090	0.000	1	177.0090	0.000	1	177.0785	2.246	11	177.0785	2.246	11
941	490	899	0:SP2_SP-NON_SP3	N	C	C	4:1:	4:4:2:1:	2:	C-4:C-1:	C[3x6]-4:C-4:N-2:H-1:	N-2:	N(CC[3x6]CH)(C)	C(C[3x6]O[6,6]3)(CCCH)(NC)(H)	C(NC)	N(CC[3x6]CH)(C)	C(C[3x6]O[6,6]3)(CCCH)(NC)(H)	C(NC)	177.0200	0.000	1	177.0200	0.000	1	177.0200	0.000	1	177.0200	0.000	1	177.0785	2.246	11	177.0785	2.246	11
941	490	902	0:SP2_SP2_SP3	N	C	C[3]	3:4:	2:4:4:1:	4:3:2:	C[3]-3:C-4:	N-2:C-4:C-4:H-1:	P[3]-4:N[3]-3:N-2:	N(C[3]N[3]P[3])(CCCH)	C(NC[3])(CH3)2(H)	C[3](P[3]C[5]N[3]W)(N[3]P[3]C)(NC)	N(C[3]N[3]P[3])(CCCH)	C(NC[3])(CH3)2(H)	C[3](P[3]C[5]N[3]W)(N[3]P[3]C)(NC){1|C<4>,2|C<3>}	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1
941	490	909	0:SP2_SP2_SP3	N	C	S	4:2:	4:4:4:2:	2:2:	C-4:S-2:	C-4:C-4:C-4:N-2:	N-2:N-2:	N(CC3)(SN)	C(CH3)3(NS)	S(NC)2	N(CC3)(SN)	C(CH3)3(NS)	S(NC)2	123.1200	5.711	4	123.1200	32.617	4	123.1200	32.617	4	123.1200	32.617	4	123.1200	32.617	4	123.1200	32.617	4
941	490	917	0:SP2_SP3_SP3	N	C	P[4]	4:4:	2:4:4:4:	3:3:2:1:	P[4]-4:C-4:	N-2:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-2:Se-1:	N(P[4]N[4]2Se)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(NC)(Se)	N(P[4]N[4]2Se)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(NC)(Se){1|N<3>}	136.8870	0.000	1	136.8870	0.000	1	136.8870	0.000	1	136.8870	0.000	1	137.1797	29.383	12	137.1797	29.383	12
941	490	917	0:SP2_SP3_SP3	N	C	P[4]	4:4:	2:4:4:4:	3:3:2:2:	P[4]-4:C-4:	N-2:C-4:C-4:C-4:	N[4]-3:N[4]-3:S-2:N-2:	N(P[4]N[4]2S)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(SPt)(NC)	N(P[4]N[4]2S)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(SPt)(NC){1|N<2>,1|S<2>}	141.2055	2.477	2	141.2055	6.136	2	141.2055	6.136	2	141.1305	14.549	6	137.1797	29.383	12	137.1797	29.383	12
941	490	917	0:SP2_SP3_SP3	N	C	P[4]	4:4:	2:4:4:4:	3:3:2:2:	P[4]-4:C-4:	N-2:C-4:C-4:C-4:	N[4]-3:N[4]-3:Se-2:N-2:	N(P[4]N[4]2Se)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(SeHg)(NC)	N(P[4]N[4]2Se)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(SeHg)(NC){1|Se<2>,1|N<3>}	137.3480	0.455	2	137.3480	0.207	2	141.0930	22.198	4	141.1305	14.549	6	137.1797	29.383	12	137.1797	29.383	12
941	490	917	0:SP2_SP3_SP3	N	C	P[4]	4:4:	2:4:4:4:	3:3:2:2:	P[4]-4:C-4:	N-2:C-4:C-4:C-4:	N[4]-3:N[4]-3:Se-2:N-2:	N(P[4]N[4]2Se)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(SeSn)(NC)	N(P[4]N[4]2Se)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(SeSn)(NC){1|Se<2>,1|N<2>}	144.8380	3.207	2	144.8380	10.288	2	141.0930	22.198	4	141.1305	14.549	6	137.1797	29.383	12	137.1797	29.383	12
941	490	917	0:SP2_SP3_SP3	N	C	P[4]	4:4:	2:4:4:4:	3:3:3:2:	P[4]-4:C-4:	N-2:C-4:C-4:C-4:	N[4]-3:N[4]-3:C-3:N-2:	N(P[4]N[4]2C)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(CCC)(NC)	N(P[4]N[4]2C)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(CCC)(NC){1|N<3>}	128.9620	0.895	2	128.9620	0.801	2	130.9757	12.565	3	131.5475	9.685	4	137.1797	29.383	12	137.1797	29.383	12
941	490	917	0:SP2_SP3_SP3	N	C	P[4]	4:4:	2:4:4:4:	3:3:3:2:	P[4]-4:C-4:	N-2:C-4:C-4:C-4:	N[4]-3:N[4]-3:C-3:N-2:	N(P[4]N[4]2C)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(CCH)(NC)	N(P[4]N[4]2C)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(CCH)(NC){1|N<2>}	135.0030	0.000	1	135.0030	0.000	1	130.9757	12.565	3	131.5475	9.685	4	137.1797	29.383	12	137.1797	29.383	12
941	490	917	0:SP2_SP3_SP3	N	C	P[4]	4:4:	2:4:4:4:	3:3:3:2:	P[4]-4:C-4:	N-2:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-3:N-2:	N(P[4]N[4]2N)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(NCN)(NC)	N(P[4]N[4]2N)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(NCN)(NC){1|N<3>}	133.2630	0.000	1	133.2630	0.000	1	133.2630	0.000	1	131.5475	9.685	4	137.1797	29.383	12	137.1797	29.383	12
941	490	917	0:SP2_SP3_SP3	N	C	P[4]	4:4:	2:4:4:4:	3:3:4:2:	P[4]-4:C-4:	N-2:C-4:C-4:C-4:	N[4]-3:N[4]-3:C-4:N-2:	N(P[4]N[4]2C)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(CCHH)(NC)	N(P[4]N[4]2C)(CC3)	C(NP[4])(CH3)3	P[4](N[4]P[4]C)2(CCHH)(NC){1|N<3>}	136.2960	0.000	1	136.2960	0.000	1	136.2960	0.000	1	136.2960	0.000	1	137.1797	29.383	12	137.1797	29.383	12
941	490	930	0:SP2_SP2_SP2	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	118.1880	0.000	1	118.1880	0.000	1	118.1880	0.000	1	118.1880	0.000	1	118.1880	0.000	1	118.1880	0.000	1
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	2:1:1:1:	3:2:1:	C-3:C-4:	N-2:H-1:H-1:H-1:	C[5]-3:N-2:O-1:	N(CC[5]O)(CH3)	C(NC)(H)3	C(C[5]C[5]S[5])(NC)(O)	N(CC[5]O)(CH3)	C(NC)(H)3	C(C[5]C[5]S[5])(NC)(O)	122.5080	0.000	1	122.5080	0.000	1	122.5080	0.000	1	118.6741	7.665	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	2:1:1:1:	3:2:1:	C-3:C-4:	N-2:H-1:H-1:H-1:	C[6]-3:N-2:O-1:	N(CC[6]O)(CH3)	C(NC)(H)3	C(C[6]C[6]2)(NC)(O)	N(CC[6]O)(CH3)	C(NC)(H)3	C(C[6]C[6]2)(NC)(O)	121.6850	0.000	1	121.6850	0.000	1	121.6850	0.000	1	118.6741	7.665	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	2:1:1:1:	3:2:1:	C-3:C-4:	N-2:H-1:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CH3)	C(NC)(H)3	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CH3)	C(NC)(H)3	C(C[6a]C[6a]2)(NC)(H)	117.3052	1.793	5	117.3052	3.214	5	117.3052	3.214	5	118.6741	7.665	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	2:1:1:1:	3:3:2:	C-3:C-4:	N-2:H-1:H-1:H-1:	N[6]-3:C[6a]-3:N-2:	N(CC[6a]N[6])(CH3)	C(NC)(H)3	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(NC)	N(CC[6a]N[6])(CH3)	C(NC)(H)3	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(NC)	120.3070	0.000	1	120.3070	0.000	1	120.3070	0.000	1	120.3070	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	2:1:1:1:	3:4:2:	C-3:C-4:	N-2:H-1:H-1:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(CH3)	C(NC)(H)3	C(C[6a]C[6a]2)(CH3)(NC)	N(CC[6a]C)(CH3)	C(NC)(H)3	C(C[6a]C[6a]2)(CH3)(NC)	118.0720	0.000	1	118.0720	0.000	1	118.0720	0.000	1	119.8075	1.515	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	2:1:1:1:	3:4:2:	C-3:C-4:	N-2:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N-2:	N(CC[6a]C[5])(CH3)	C(NC)(H)3	C(C[6a]C[6a]2)(C[5]C[5]2O)(NC)	N(CC[6a]C[5])(CH3)	C(NC)(H)3	C(C[6a]C[6a]2)(C[5]C[5]2O)(NC)	120.8390	0.000	1	120.8390	0.000	1	120.8390	0.000	1	119.8075	1.515	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	2:1:1:1:	3:4:2:	C-3:C-4:	N-2:H-1:H-1:H-1:	C[6a]-3:P-4:N-2:	N(CC[6a]P)(CH3)	C(NC)(H)3	C(C[6a]C[6a]2)(PC[6a]2Rh)(NC)	N(CC[6a]P)(CH3)	C(NC)(H)3	C(C[6a]C[6a]2)(PC[6a]2Rh)(NC)	120.1595	0.472	2	120.1595	0.222	2	120.1595	0.222	2	119.8075	1.515	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	2:1:1:1:	4:2:1:	C-3:C-4:	N-2:H-1:H-1:H-1:	C[5]-4:N-2:O-1:	N(CC[5]O)(CH3)	C(NC)(H)3	C(C[5]C[5]N[5]H)(NC)(O)	N(CC[5]O)(CH3)	C(NC)(H)3	C(C[5]C[5]N[5]H)(NC)(O)	123.1270	0.489	2	123.1270	0.239	2	123.1270	0.239	2	123.1270	0.239	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	2:2:1:1:	3:2:2:	C-3:C-4:	S-2:N-2:H-1:H-1:	C[5]-3:S-2:N-2:	N(CC[5]S)(CHHS)	C(SC[6a])(NC)(H)2	C(C[5]C[5]N[5])(SC[6a])(NC)	N(CC[5]S)(CHHS)	C(SC[6a])(NC)(H)2	C(C[5]C[5]N[5])(SC[6a])(NC)	119.2880	0.000	1	119.2880	0.000	1	119.2880	0.000	1	119.2880	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	3:2:1:1:	3:2:1:	C-3:C-4:	C-3:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CCC)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	C(CCC)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	116.1500	0.000	1	116.1500	0.000	1	118.2913	4.117	6	118.6389	6.164	10	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	3:2:1:1:	3:2:1:	C-3:C-4:	C-3:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CNO)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	C(CNO)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	119.0930	2.024	4	119.0930	4.098	4	118.2913	4.117	6	118.6389	6.164	10	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	3:2:1:1:	3:2:1:	C-3:C-4:	C-3:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(COO)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	C(COO)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	117.2260	0.000	1	117.2260	0.000	1	118.2913	4.117	6	118.6389	6.164	10	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	3:2:1:1:	3:2:1:	C-3:C-4:	C-3:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]O)(CCHH)	C(COO)(NC)(H)2	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]O)(CCHH)	C(COO)(NC)(H)2	C(C[6a]C[6a]2)(NC)(O)	122.2670	0.000	1	122.2670	0.000	1	122.2670	0.000	1	118.6389	6.164	10	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	3:2:1:1:	3:2:1:	C-3:C-4:	P-3:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CHHP)	C(PCC)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CHHP)	C(PCC)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	118.1247	3.179	3	118.1247	10.106	3	118.1247	10.106	3	118.6389	6.164	10	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	3:2:1:1:	3:3:2:	C-3:C-4:	C-3:N-2:H-1:H-1:	C[5a]-3:C[6a]-3:N-2:	N(CC[5a]C[6a])(CCHH)	C(CNO)(NC)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC)	N(CC[5a]C[6a])(CCHH)	C(CNO)(NC)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC)	117.3957	0.547	3	117.3957	0.299	3	117.3957	0.299	3	117.0053	0.809	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	3:2:1:1:	3:3:2:	C-3:C-4:	C-3:N-2:H-1:H-1:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(CCHH)	C(CCO)(NC)(H)2	C(C[6a]C[6a]2)(CCH)(NC)	N(CC[6a]C)(CCHH)	C(CCO)(NC)(H)2	C(C[6a]C[6a]2)(CCH)(NC)	115.8340	0.000	1	115.8340	0.000	1	115.8340	0.000	1	117.0053	0.809	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	3:2:1:1:	3:4:2:	C-3:C-4:	C-3:N-2:H-1:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(CCHH)	C(CCC)(NC)(H)2	C(C[6a]C[6a]2)(CCHH)(NC)	N(CC[6a]C)(CCHH)	C(CCC)(NC)(H)2	C(C[6a]C[6a]2)(CCHH)(NC)	118.5815	2.659	2	118.5815	7.073	2	118.7213	3.595	3	118.7213	3.595	3	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	3:2:1:1:	3:4:2:	C-3:C-4:	C-3:N-2:H-1:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(CCHH)	C(CCH)(NC)(H)2	C(C[6a]C[6a]N[6a])(CH3)(NC)	N(CC[6a]C)(CCHH)	C(CCH)(NC)(H)2	C(C[6a]C[6a]N[6a])(CH3)(NC)	119.0010	0.000	1	119.0010	0.000	1	118.7213	3.595	3	118.7213	3.595	3	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	3:2:1:1:	4:3:2:	C-3:C-4:	C[6a]-3:N-2:H-1:H-1:	C[5]-4:C[6a]-3:N-2:	N(CC[6a]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC)(H)2	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NC)	N(CC[6a]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC)(H)2	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NC)	119.1185	1.790	2	119.1185	3.203	2	119.1185	3.203	2	119.1185	3.203	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	3:2:2:1:	3:3:2:	C-3:C-4:	C-3:N-2:O-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCHO)	C(CCH)(NC)(OC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCHO)	C(CCH)(NC)(OC)(H)	C(C[6a]C[6a]2)2(NC)	115.8480	0.000	1	115.8480	0.000	1	117.7206	1.338	5	117.7206	1.338	5	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	3:2:2:1:	3:3:2:	C-3:C-4:	C-3:N-2:O-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCHO)	C(CNO)(NC)(OH)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCHO)	C(CNO)(NC)(OH)(H)	C(C[6a]C[6a]2)2(NC)	118.1887	0.569	4	118.1887	0.323	4	117.7206	1.338	5	117.7206	1.338	5	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	3:4:2:1:	3:3:2:	C-3:C-4:	C-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCCH)	C(CN[6]O)(CCHN)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCCH)	C(CN[6]O)(CCHN)(NC)(H)	C(C[6a]C[6a]2)2(NC)	119.0990	0.000	1	119.0990	0.000	1	119.0990	0.000	1	119.0990	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(CCHH)	C(CCHH)(NC)(H)2	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[5a]H)(CCHH)	C(CCHH)(NC)(H)2	C(C[5a]C[5a]N[5a])(NC)(H)	119.6154	2.580	5	119.6154	6.658	5	117.6406	2.168	45	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(CCHH)	C(CCHO)(NC)(H)2	C(C[5a]N[5a]2)(NC)(H)	N(CC[5a]H)(CCHH)	C(CCHO)(NC)(H)2	C(C[5a]N[5a]2)(NC)(H)	116.2715	2.013	2	116.2715	4.053	2	117.6406	2.168	45	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(CCHH)	C(CC[5]HH)(NC)(H)2	C(C[5a]N[5a]2)(NC)(H)	N(CC[5a]H)(CCHH)	C(CC[5]HH)(NC)(H)2	C(C[5a]N[5a]2)(NC)(H)	117.6895	0.387	2	117.6895	0.150	2	117.6406	2.168	45	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(CCHH)	C(CC[6a]HH)(NC)(H)2	C(C[5a]C[5a]O[5a])(NC)(H)	N(CC[5a]H)(CCHH)	C(CC[6a]HH)(NC)(H)2	C(C[5a]C[5a]O[5a])(NC)(H)	116.4050	0.000	1	116.4050	0.000	1	117.6406	2.168	45	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(CCHH)	C(CHHN)(NC)(H)2	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[5a]H)(CCHH)	C(CHHN)(NC)(H)2	C(C[5a]C[5a]N[5a])(NC)(H)	117.2110	0.446	10	117.2110	0.199	10	117.6406	2.168	45	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(CCHH)	C(CHHN)(NC)(H)2	C(C[5a]C[5a]S[5a])(NC)(H)	N(CC[5a]H)(CCHH)	C(CHHN)(NC)(H)2	C(C[5a]C[5a]S[5a])(NC)(H)	117.5183	1.232	21	117.5183	1.518	21	117.6406	2.168	45	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(CCHH)	C(CHHN)(NC)(H)2	C(C[5a]N[5a]2)(NC)(H)	N(CC[5a]H)(CCHH)	C(CHHN)(NC)(H)2	C(C[5a]N[5a]2)(NC)(H)	116.1750	0.000	1	116.1750	0.000	1	117.6406	2.168	45	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(CCHH)	C(CHHO)(NC)(H)2	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[5a]H)(CCHH)	C(CHHO)(NC)(H)2	C(C[5a]C[5a]N[5a])(NC)(H)	117.4360	0.000	1	117.4360	0.000	1	117.6406	2.168	45	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(CCHH)	C(CN[5]HH)(NC)(H)2	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[5a]H)(CCHH)	C(CN[5]HH)(NC)(H)2	C(C[5a]C[5a]N[5a])(NC)(H)	118.9090	0.216	2	118.9090	0.047	2	117.6406	2.168	45	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[5a]-3:N-2:O-1:	N(CC[5a]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[5a]C[5a]N[5a])(NC)(O)	N(CC[5a]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[5a]C[5a]N[5a])(NC)(O)	123.7890	0.000	1	123.7890	0.000	1	123.7890	0.000	1	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6]-3:N-2:H-1:	N(CC[6]H)(CCHH)	C(CCHH)(NC)(H)2	C(C[6]C[6,6a]C[6])(NC)(H)	N(CC[6]H)(CCHH)	C(CCHH)(NC)(H)2	C(C[6]C[6,6a]C[6])(NC)(H)	125.3370	0.000	1	125.3370	0.000	1	120.4146	8.024	9	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6]-3:N-2:H-1:	N(CC[6]H)(CCHH)	C(CCHH)(NC)(H)2	C(C[6]C[6]2)(NC)(H)	N(CC[6]H)(CCHH)	C(CCHH)(NC)(H)2	C(C[6]C[6]2)(NC)(H)	120.1580	1.061	2	120.1580	1.125	2	120.4146	8.024	9	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6]-3:N-2:H-1:	N(CC[6]H)(CCHH)	C(CHHN)(NC)(H)2	C(C[6]C[6]2)(NC)(H)	N(CC[6]H)(CCHH)	C(CHHN)(NC)(H)2	C(C[6]C[6]2)(NC)(H)	118.7914	1.717	5	118.7914	2.948	5	120.4146	8.024	9	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6]-3:N-2:H-1:	N(CC[6]H)(CCHH)	C(CHHO)(NC)(H)2	C(C[6]C[6]2)(NC)(H)	N(CC[6]H)(CCHH)	C(CHHO)(NC)(H)2	C(C[6]C[6]2)(NC)(H)	124.1210	0.000	1	124.1210	0.000	1	120.4146	8.024	9	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6]-3:N-2:O-1:	N(CC[6]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[6]C[6]2)(NC)(O)	N(CC[6]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[6]C[6]2)(NC)(O)	120.9462	0.808	4	120.9462	0.652	4	121.4320	0.966	6	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6]-3:N-2:O-1:	N(CC[6]O)(CCHH)	C(CHHN)(NC)(H)2	C(C[6]C[6]2)(NC)(O)	N(CC[6]O)(CCHH)	C(CHHN)(NC)(H)2	C(C[6]C[6]2)(NC)(O)	122.2620	0.000	1	122.2620	0.000	1	121.4320	0.966	6	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6]-3:N-2:O-1:	N(CC[6]O)(CCHH)	C(CHHO)(NC)(H)2	C(C[6]C[6]2)(NC)(O)	N(CC[6]O)(CCHH)	C(CHHO)(NC)(H)2	C(C[6]C[6]2)(NC)(O)	122.5450	0.000	1	122.5450	0.000	1	121.4320	0.966	6	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CC3)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	C(CC3)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	118.5812	1.170	46	118.5812	1.369	46	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CCCH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	C(CCCH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	117.4200	0.895	3	117.4200	0.801	3	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[5,6a]C[6a])(NC)(H)	N(CC[6a]H)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[5,6a]C[6a])(NC)(H)	120.7023	1.564	3	120.7023	2.445	3	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]H)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a,6a]C[6a])(NC)(H)	120.8775	2.411	2	120.8775	5.811	2	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	118.3552	1.345	56	118.3552	1.809	56	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]H)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(H)	116.8310	0.658	3	116.8310	0.433	3	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CCHN)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	C(CCHN)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	117.7053	1.003	3	117.7053	1.005	3	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CCHO)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	C(CCHO)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	118.2936	1.978	14	118.2936	3.913	14	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CC[5a]HH)(NC)(H)2	C(C[6a]C[6a,6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	C(CC[5a]HH)(NC)(H)2	C(C[6a]C[6a,6a]2)(NC)(H)	115.2020	0.000	1	115.2020	0.000	1	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CC[5a]HH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	C(CC[5a]HH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	117.9995	0.559	4	117.9995	0.313	4	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CC[6a]CC)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	C(CC[6a]CC)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	118.8200	0.938	2	118.8200	0.879	2	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	121.5099	3.063	7	121.5099	9.381	7	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CHHN)(NC)(H)2	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]H)(CCHH)	C(CHHN)(NC)(H)2	C(C[6a]C[6a,6a]C[6a])(NC)(H)	116.7400	0.942	2	116.7400	0.887	2	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CHHN)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	C(CHHN)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	118.4510	1.829	159	118.4510	3.346	159	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CHHN)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]H)(CCHH)	C(CHHN)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(H)	117.6975	0.209	2	117.6975	0.044	2	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CHHO)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	C(CHHO)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	118.4020	1.115	8	118.4020	1.244	8	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CHHO)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]H)(CCHH)	C(CHHO)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(H)	117.1525	1.138	4	117.1525	1.295	4	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CHHS)(NC)(H)2	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]H)(CCHH)	C(CHHS)(NC)(H)2	C(C[6a]C[6a,6a]C[6a])(NC)(H)	120.1940	0.000	1	120.1940	0.000	1	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CN[5]HH)(NC)(H)2	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]H)(CCHH)	C(CN[5]HH)(NC)(H)2	C(C[6a]C[6a,6a]C[6a])(NC)(H)	116.7520	0.000	1	116.7520	0.000	1	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CN[5]HH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	C(CN[5]HH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	117.3629	1.803	17	117.3629	3.250	17	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CN[5]HH)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]H)(CCHH)	C(CN[5]HH)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(H)	118.0250	0.000	1	118.0250	0.000	1	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CN[5a]HH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	C(CN[5a]HH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	117.0885	1.491	2	117.0885	2.224	2	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CN[6]HH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	C(CN[6]HH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	118.3820	0.000	1	118.3820	0.000	1	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CN[6]HH)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]H)(CCHH)	C(CN[6]HH)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(H)	116.6590	0.000	1	116.6590	0.000	1	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCHH)	C(CSeHH)(NC)(H)2	C(C[6a]C[6a,6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	C(CSeHH)(NC)(H)2	C(C[6a]C[6a,6a]2)(NC)(H)	116.9550	0.000	1	116.9550	0.000	1	118.3971	3.056	344	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(O)	123.6090	0.000	1	123.6090	0.000	1	122.2299	3.998	26	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(O)	N(CC[6a]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(O)	123.4967	1.645	4	123.4967	2.704	4	122.2299	3.998	26	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]O)(CCHH)	C(CC[6]HH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]O)(CCHH)	C(CC[6]HH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(O)	121.7680	0.000	1	121.7680	0.000	1	122.2299	3.998	26	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]O)(CCHH)	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]O)(CCHH)	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(O)	121.5560	0.000	1	121.5560	0.000	1	122.2299	3.998	26	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]O)(CCHH)	C(CHHN)(NC)(H)2	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]O)(CCHH)	C(CHHN)(NC)(H)2	C(C[6a]C[6a]2)(NC)(O)	121.4967	3.000	9	121.4967	9.003	9	122.2299	3.998	26	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]O)(CCHH)	C(CHHN)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(O)	N(CC[6a]O)(CCHH)	C(CHHN)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(O)	122.3988	0.824	8	122.3988	0.680	8	122.2299	3.998	26	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]O)(CCHH)	C(CHHP)(NC)(H)2	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]O)(CCHH)	C(CHHP)(NC)(H)2	C(C[6a]C[6a]2)(NC)(O)	121.4890	0.000	1	121.4890	0.000	1	122.2299	3.998	26	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]O)(CCHH)	C(CHHS)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(O)	N(CC[6a]O)(CCHH)	C(CHHS)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(O)	122.9090	0.000	1	122.9090	0.000	1	122.2299	3.998	26	118.6462	4.220	431	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[5a]-3:N-2:O-2:	N(CC[5a]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[5a]C[5a]O[5a])(NC)(OC)	N(CC[5a]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[5a]C[5a]O[5a])(NC)(OC)	119.6050	0.000	1	119.6050	0.000	1	120.0527	0.153	3	119.1841	4.209	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[5a]-3:N-2:O-2:	N(CC[5a]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[5a]C[5a]S[5a])(NC)(OC)	N(CC[5a]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[5a]C[5a]S[5a])(NC)(OC)	120.2765	0.067	2	120.2765	0.005	2	120.0527	0.153	3	119.1841	4.209	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6]-3:O-2:N-2:	N(CC[6]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[6]C[6]N[6])(OLi)(NC)	N(CC[6]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[6]C[6]N[6])(OLi)(NC)	121.5300	0.000	1	121.5300	0.000	1	121.9075	0.285	2	119.1841	4.209	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6]-3:O-2:N-2:	N(CC[6]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[6]C[6]N[6])(ONi)(NC)	N(CC[6]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[6]C[6]N[6])(ONi)(NC)	122.2850	0.000	1	122.2850	0.000	1	121.9075	0.285	2	119.1841	4.209	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6]-3:S-2:N-2:	N(CC[6]S)(CCHH)	C(CCHH)(NC)(H)2	C(C[6]C[6]N[6])(SPd)(NC)	N(CC[6]S)(CCHH)	C(CCHH)(NC)(H)2	C(C[6]C[6]N[6])(SPd)(NC)	117.5658	1.981	4	117.5658	3.924	4	117.5658	3.924	4	119.1841	4.209	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:O-2:	N(CC[6a]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(OC)	N(CC[6a]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]2)(NC)(OC)	119.0680	0.000	1	119.0680	0.000	1	119.0680	0.000	1	119.1841	4.209	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:2:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	N[5]-3:S-2:N-2:	N(CN[5]S)(CCHH)	C(CH3)(NC)(H)2	C(N[5]C[5]N[5])(SPd)(NC)	N(CN[5]S)(CCHH)	C(CH3)(NC)(H)2	C(N[5]C[5]N[5])(SPd)(NC)	117.7210	0.000	1	117.7210	0.000	1	117.7210	0.000	1	119.1841	4.209	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:3:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[5]-3:C-3:N-2:	N(CC[5]C)(CCHH)	C(CH3)(NC)(H)2	C(C[5]C[5,6a]N[5])(CC[5]N)(NC)	N(CC[5]C)(CCHH)	C(CH3)(NC)(H)2	C(C[5]C[5,6a]N[5])(CC[5]N)(NC)	122.4990	0.000	1	122.4990	0.000	1	122.4990	0.000	1	121.1516	3.727	21	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:3:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(CCHH)	C(CCCH)(NC)(H)2	C(C[6a]C[6a]2)(CCC)(NC)	N(CC[6a]C)(CCHH)	C(CCCH)(NC)(H)2	C(C[6a]C[6a]2)(CCC)(NC)	121.1680	0.000	1	121.1680	0.000	1	119.4698	14.569	4	121.1516	3.727	21	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:3:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]2)(CC[6a]N)(NC)	N(CC[6a]C)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]2)(CC[6a]N)(NC)	116.3275	0.207	2	116.3275	0.043	2	119.4698	14.569	4	121.1516	3.727	21	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:3:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]2)(CHH)(NC)	N(CC[6a]C)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]2)(CHH)(NC)	124.0560	0.000	1	124.0560	0.000	1	119.4698	14.569	4	121.1516	3.727	21	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:3:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCHH)	C(CC3)(NC)(H)2	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCHH)	C(CC3)(NC)(H)2	C(C[6a]C[6a]2)2(NC)	121.8575	0.682	2	121.8575	0.466	2	121.7556	0.788	13	121.1516	3.727	21	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:3:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]2)2(NC)	122.2325	0.238	2	122.2325	0.057	2	121.7556	0.788	13	121.1516	3.727	21	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:3:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC)	N(CC[6a]2)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC)	121.4140	0.000	1	121.4140	0.000	1	121.7556	0.788	13	121.1516	3.727	21	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:3:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCHH)	C(CCHN)(NC)(H)2	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCHH)	C(CCHN)(NC)(H)2	C(C[6a]C[6a]2)2(NC)	121.5180	0.000	1	121.5180	0.000	1	121.7556	0.788	13	121.1516	3.727	21	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:3:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCHH)	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCHH)	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)2(NC)	123.1430	0.000	1	123.1430	0.000	1	121.7556	0.788	13	121.1516	3.727	21	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:3:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCHH)	C(CHHN)(NC)(H)2	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCHH)	C(CHHN)(NC)(H)2	C(C[6a]C[6a]2)2(NC)	121.4280	1.069	6	121.4280	1.143	6	121.7556	0.788	13	121.1516	3.727	21	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:3:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N(CN[5]2)(CCHH)	C(CCHH)(NC)(H)2	C(N[5]C[5]2)2(NC)	N(CN[5]2)(CCHH)	C(CCHH)(NC)(H)2	C(N[5]C[5]2)2(NC)	121.2190	0.000	1	121.2190	0.000	1	121.2190	0.000	1	121.1516	3.727	21	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:3:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N(CN[6]2)(CCHH)	C(CCHH)(NC)(H)2	C(N[6]C[6]2)2(NC)	N(CN[6]2)(CCHH)	C(CCHH)(NC)(H)2	C(N[6]C[6]2)2(NC)	119.8820	0.518	2	119.8820	0.268	2	119.8820	0.268	2	121.1516	3.727	21	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:4:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[5a]-3:C-4:N-2:	N(CC[5a]C)(CCHH)	C(CHHN)(NC)(H)2	C(C[5a]C[5a]2)(CH3)(NC)	N(CC[5a]C)(CCHH)	C(CHHN)(NC)(H)2	C(C[5a]C[5a]2)(CH3)(NC)	120.0280	0.000	1	120.0280	0.000	1	120.1765	0.044	2	121.9327	5.830	31	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:4:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[5a]-3:C-4:N-2:	N(CC[5a]C)(CCHH)	C(CHHN)(NC)(H)2	C(C[5a]C[5a]S[5a])(CH3)(NC)	N(CC[5a]C)(CCHH)	C(CHHN)(NC)(H)2	C(C[5a]C[5a]S[5a])(CH3)(NC)	120.3250	0.000	1	120.3250	0.000	1	120.1765	0.044	2	121.9327	5.830	31	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:4:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6]-3:C-4:N-2:	N(CC[6]C)(CCHH)	C(CH3)(NC)(H)2	C(C[6]C[6]2)(CH3)(NC)	N(CC[6]C)(CCHH)	C(CH3)(NC)(H)2	C(C[6]C[6]2)(CH3)(NC)	124.1700	0.000	1	124.1700	0.000	1	124.1700	0.000	1	121.9327	5.830	31	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:4:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(CCHH)	C(CC3)(NC)(H)2	C(C[6a]C[6a]2)(CCHH)(NC)	N(CC[6a]C)(CCHH)	C(CC3)(NC)(H)2	C(C[6a]C[6a]2)(CCHH)(NC)	123.7170	1.073	2	123.7170	1.152	2	121.9783	6.061	28	121.9327	5.830	31	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:4:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(CCHH)	C(CC3)(NC)(H)2	C(C[6a]C[6a]2)(CH3)(NC)	N(CC[6a]C)(CCHH)	C(CC3)(NC)(H)2	C(C[6a]C[6a]2)(CH3)(NC)	121.8130	1.123	2	121.8130	1.261	2	121.9783	6.061	28	121.9327	5.830	31	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:4:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]2)(CH3)(NC)	N(CC[6a]C)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]2)(CH3)(NC)	121.4643	1.515	6	121.4643	2.297	6	121.9783	6.061	28	121.9327	5.830	31	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:4:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]N[6a])(CH3)(NC)	N(CC[6a]C)(CCHH)	C(CCHH)(NC)(H)2	C(C[6a]C[6a]N[6a])(CH3)(NC)	118.7470	0.925	2	118.7470	0.855	2	121.9783	6.061	28	121.9327	5.830	31	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:4:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(CCHH)	C(CHHN)(NC)(H)2	C(C[6a]C[6a]2)(CH3)(NC)	N(CC[6a]C)(CCHH)	C(CHHN)(NC)(H)2	C(C[6a]C[6a]2)(CH3)(NC)	122.9509	3.712	8	122.9509	13.780	8	121.9783	6.061	28	121.9327	5.830	31	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:4:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(CCHH)	C(CHHN)(NC)(H)2	C(C[6a]C[6a]N[6a])(CH3)(NC)	N(CC[6a]C)(CCHH)	C(CHHN)(NC)(H)2	C(C[6a]C[6a]N[6a])(CH3)(NC)	121.2063	1.127	6	121.2063	1.270	6	121.9783	6.061	28	121.9327	5.830	31	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	3:4:2:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(CCHH)	C(CHHO)(NC)(H)2	C(C[6a]C[6a]2)(CH3)(NC)	N(CC[6a]C)(CCHH)	C(CHHO)(NC)(H)2	C(C[6a]C[6a]2)(CH3)(NC)	123.6030	1.041	2	123.6030	1.083	2	121.9783	6.061	28	121.9327	5.830	31	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	4:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[5]-4:N-2:H-1:	N(CC[5]H)(CCHH)	C(CC[5a]HH)(NC)(H)2	C(C[5]C[5]2Fe)(NC)(H)	N(CC[5]H)(CCHH)	C(CC[5a]HH)(NC)(H)2	C(C[5]C[5]2Fe)(NC)(H)	117.6990	0.000	1	117.6990	0.000	1	117.6990	0.000	1	120.1563	6.296	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	4:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[5]-4:N-2:O-1:	N(CC[5]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[5]C[5]2Re)(NC)(O)	N(CC[5]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[5]C[5]2Re)(NC)(O)	120.4810	0.000	1	120.4810	0.000	1	122.0362	1.474	4	120.1563	6.296	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	4:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[5]-4:N-2:O-1:	N(CC[5]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[5]C[5]O[5]N)(NC)(O)	N(CC[5]O)(CCHH)	C(CCHH)(NC)(H)2	C(C[5]C[5]O[5]N)(NC)(O)	122.8860	0.734	2	122.8860	0.539	2	122.0362	1.474	4	120.1563	6.296	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	4:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[5]-4:N-2:O-1:	N(CC[5]O)(CCHH)	C(CHHO)(NC)(H)2	C(C[5]C[5]2Fe)(NC)(O)	N(CC[5]O)(CCHH)	C(CHHO)(NC)(H)2	C(C[5]C[5]2Fe)(NC)(O)	121.8920	0.000	1	121.8920	0.000	1	122.0362	1.474	4	120.1563	6.296	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:1:1:	4:2:1:	C-3:C-4:	C-4:N-2:H-1:H-1:	C[6]-4:N-2:H-1:	N(CC[6]H)(CCHH)	C(CCHH)(NC)(H)2	C(C[6]C[6]2C)(NC)(H)	N(CC[6]H)(CCHH)	C(CCHH)(NC)(H)2	C(C[6]C[6]2C)(NC)(H)	117.6250	0.602	2	117.6250	0.363	2	117.6250	0.363	2	120.1563	6.296	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:2:2:1:	3:2:1:	C-3:C-4:	C-4:C-2:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCCH)	C(CC3)(CN)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCCH)	C(CC3)(CN)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	117.2605	0.136	2	117.2605	0.019	2	117.2605	0.019	2	117.2605	0.019	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	3:2:1:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[6]-3:N-2:H-1:	N(CC[6]H)(CCCH)	C(CCHH)(COO)(NC)(H)	C(C[6]C[6,6a]C[6])(NC)(H)	N(CC[6]H)(CCCH)	C(CCHH)(COO)(NC)(H)	C(C[6]C[6,6a]C[6])(NC)(H)	125.0015	0.721	2	125.0015	0.519	2	125.0015	0.519	2	120.5224	10.830	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	3:2:1:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCCH)	C(CCHH)(COO)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCCH)	C(CCHH)(COO)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	116.8893	2.592	3	116.8893	6.720	3	116.8893	6.720	3	120.5224	10.830	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	3:2:1:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]O)(CCCH)	C(CCHH)(CNO)(NC)(H)	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]O)(CCCH)	C(CCHH)(CNO)(NC)(H)	C(C[6a]C[6a]2)(NC)(O)	122.1560	0.000	1	122.1560	0.000	1	120.8458	2.798	6	120.5224	10.830	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	3:2:1:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]O)(CCCH)	C(CH3)(COO)(NC)(H)	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]O)(CCCH)	C(CH3)(COO)(NC)(H)	C(C[6a]C[6a]2)(NC)(O)	119.5950	1.358	3	119.5950	1.844	3	120.8458	2.798	6	120.5224	10.830	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	3:2:1:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]O)(CCCH)	C(CHHS)(COO)(NC)(H)	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]O)(CCCH)	C(CHHS)(COO)(NC)(H)	C(C[6a]C[6a]2)(NC)(O)	122.0670	0.955	2	122.0670	0.911	2	120.8458	2.798	6	120.5224	10.830	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	3:3:2:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCCH)	C(CC3)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCCH)	C(CC3)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	118.6270	0.000	1	118.6270	0.000	1	119.8215	1.924	17	119.8215	1.924	17	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	3:3:2:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCCH)	C(CCHH)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCCH)	C(CCHH)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	120.9820	0.000	1	120.9820	0.000	1	119.8215	1.924	17	119.8215	1.924	17	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	3:3:2:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCCH)	C(CC[5]CH)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCCH)	C(CC[5]CH)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	119.7070	0.000	1	119.7070	0.000	1	119.8215	1.924	17	119.8215	1.924	17	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	3:3:2:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCCH)	C(CC[5a]CH)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCCH)	C(CC[5a]CH)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	119.8380	0.000	1	119.8380	0.000	1	119.8215	1.924	17	119.8215	1.924	17	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	3:3:2:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCCH)	C(CC[5a]C[6a]H)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCCH)	C(CC[5a]C[6a]H)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	120.5300	0.000	1	120.5300	0.000	1	119.8215	1.924	17	119.8215	1.924	17	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	3:3:2:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCCH)	C(CC[6a]2H)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCCH)	C(CC[6a]2H)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	121.6090	0.000	1	121.6090	0.000	1	119.8215	1.924	17	119.8215	1.924	17	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	3:3:2:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCCH)	C(CC[6a]HH)(CNO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCCH)	C(CC[6a]HH)(CNO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	120.6670	0.000	1	120.6670	0.000	1	119.8215	1.924	17	119.8215	1.924	17	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	3:3:2:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCCH)	C(CC[6a]HH)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCCH)	C(CC[6a]HH)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	120.0550	0.000	1	120.0550	0.000	1	119.8215	1.924	17	119.8215	1.924	17	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	3:3:2:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCCH)	C(CC[6a]HN)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCCH)	C(CC[6a]HN)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	120.0807	1.656	6	120.0807	2.742	6	119.8215	1.924	17	119.8215	1.924	17	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	3:3:2:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCCH)	C(CH3)(CNO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCCH)	C(CH3)(CNO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	117.7450	0.293	2	117.7450	0.086	2	119.8215	1.924	17	119.8215	1.924	17	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	3:3:2:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCCH)	C(CHHO)(CNO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCCH)	C(CHHO)(CNO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	118.9770	0.000	1	118.9770	0.000	1	119.8215	1.924	17	119.8215	1.924	17	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	3:4:2:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(CCCH)	C(CCCH)(CNO)(NC)(H)	C(C[6a]C[6a]2)(CH3)(NC)	N(CC[6a]C)(CCCH)	C(CCCH)(CNO)(NC)(H)	C(C[6a]C[6a]2)(CH3)(NC)	117.0600	0.000	1	117.0600	0.000	1	117.1345	0.011	2	117.1345	0.011	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	3:4:2:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(CCCH)	C(CCHH)(CNO)(NC)(H)	C(C[6a]C[6a]2)(CH3)(NC)	N(CC[6a]C)(CCCH)	C(CCHH)(CNO)(NC)(H)	C(C[6a]C[6a]2)(CH3)(NC)	117.2090	0.000	1	117.2090	0.000	1	117.1345	0.011	2	117.1345	0.011	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	4:2:1:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[5]-4:N-2:H-1:	N(CC[5]H)(CCCH)	C(CC[6a]HH)(COO)(NC)(H)	C(C[5]C[5]2Fe)(NC)(H)	N(CC[5]H)(CCCH)	C(CC[6a]HH)(COO)(NC)(H)	C(C[5]C[5]2Fe)(NC)(H)	115.1850	0.000	1	115.1850	0.000	1	115.2745	0.016	2	117.8900	9.130	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	4:2:1:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[5]-4:N-2:H-1:	N(CC[5]H)(CCCH)	C(CH3)(COO)(NC)(H)	C(C[5]C[5]2Fe)(NC)(H)	N(CC[5]H)(CCCH)	C(CH3)(COO)(NC)(H)	C(C[5]C[5]2Fe)(NC)(H)	115.3640	0.000	1	115.3640	0.000	1	115.2745	0.016	2	117.8900	9.130	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	4:2:1:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[5]-4:N-2:O-1:	N(CC[5]O)(CCCH)	C(CCCH)(CNO)(NC)(H)	C(C[5]C[5]2N)(NC)(O)	N(CC[5]O)(CCCH)	C(CCCH)(CNO)(NC)(H)	C(C[5]C[5]2N)(NC)(O)	120.5740	0.000	1	120.5740	0.000	1	120.5055	0.009	2	117.8900	9.130	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:1:	4:2:1:	C-3:C-4:	C-4:C-3:N-2:H-1:	C[5]-4:N-2:O-1:	N(CC[5]O)(CCCH)	C(CC[6a]HH)(CNO)(NC)(H)	C(C[5]C[5]N[5]H)(NC)(O)	N(CC[5]O)(CCCH)	C(CC[6a]HH)(CNO)(NC)(H)	C(C[5]C[5]N[5]H)(NC)(O)	120.4370	0.000	1	120.4370	0.000	1	120.5055	0.009	2	117.8900	9.130	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:2:2:	3:3:2:	C-3:C-4:	C-4:C-3:C-2:N-2:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CC3)	C(CH3)(CNO)(CN)(NC)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CC3)	C(CH3)(CNO)(CN)(NC)	C(C[6a]C[6a]2)2(NC)	119.7650	0.000	1	119.7650	0.000	1	119.7650	0.000	1	119.7650	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:3:3:2:	3:2:1:	C-3:C-4:	C-4:C-3:C-3:N-2:	C[6a]-3:N-2:O-1:	N(CC[6a]O)(CC3)	C(CC[6a]HH)(CCH)(CNO)(NC)	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]O)(CC3)	C(CC[6a]HH)(CCH)(CNO)(NC)	C(C[6a]C[6a]2)(NC)(O)	122.2395	0.911	2	122.2395	0.831	2	122.2395	0.831	2	122.2395	0.831	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:2:1:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCCH)	C(CC3)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCCH)	C(CC3)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	117.9412	0.840	4	117.9412	0.706	4	119.0670	2.181	27	119.1672	2.381	28	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:2:1:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCCH)	C(CCCH)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCCH)	C(CCCH)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	118.0575	0.868	2	118.0575	0.753	2	119.0670	2.181	27	119.1672	2.381	28	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:2:1:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCCH)	C(CCCH)(CHHO)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCCH)	C(CCCH)(CHHO)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	118.6117	0.638	3	118.6117	0.407	3	119.0670	2.181	27	119.1672	2.381	28	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:2:1:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCCH)	C(CCHH)(CHHO)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCCH)	C(CCHH)(CHHO)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	119.5240	0.529	2	119.5240	0.280	2	119.0670	2.181	27	119.1672	2.381	28	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:2:1:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCCH)	C(CC[6a]2O)(CCCH)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCCH)	C(CC[6a]2O)(CCCH)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	120.4740	0.000	1	120.4740	0.000	1	119.0670	2.181	27	119.1672	2.381	28	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:2:1:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCCH)	C(CC[6a]2O)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCCH)	C(CC[6a]2O)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	120.6713	1.385	3	120.6713	1.919	3	119.0670	2.181	27	119.1672	2.381	28	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:2:1:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCCH)	C(CC[6a]HN)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCCH)	C(CC[6a]HN)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	119.9640	0.205	2	119.9640	0.042	2	119.0670	2.181	27	119.1672	2.381	28	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:2:1:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCCH)	C(CC[6a]HO)(CH3)(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]H)(CCCH)	C(CC[6a]HO)(CH3)(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	117.4880	0.000	2	117.4880	0.000	2	119.0670	2.181	27	119.1672	2.381	28	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:2:1:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]H)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	117.1760	0.000	1	117.1760	0.000	1	119.0670	2.181	27	119.1672	2.381	28	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:2:1:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	120.9435	3.041	2	120.9435	9.249	2	119.0670	2.181	27	119.1672	2.381	28	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:2:1:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCCH)	C(CHHN)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCCH)	C(CHHN)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	118.9923	1.486	3	118.9923	2.209	3	119.0670	2.181	27	119.1672	2.381	28	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:2:1:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCCH)	C(CHHO)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCCH)	C(CHHO)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	119.3075	0.046	2	119.3075	0.002	2	119.0670	2.181	27	119.1672	2.381	28	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:2:1:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]O)(CCCH)	C(CHHO)(CHHS)(NC)(H)	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]O)(CCCH)	C(CHHO)(CHHS)(NC)(H)	C(C[6a]C[6a]2)(NC)(O)	121.8710	0.000	1	121.8710	0.000	1	121.8710	0.000	1	119.1672	2.381	28	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:3:2:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(CCCH)	C(CC3)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]N)(NC)	N(CC[6a]C)(CCCH)	C(CC3)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]N)(NC)	122.6385	0.612	2	122.6385	0.374	2	122.4743	0.154	6	121.3263	1.581	38	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:3:2:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(CCCH)	C(CCCH)(CHHO)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]N)(NC)	N(CC[6a]C)(CCCH)	C(CCCH)(CHHO)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]N)(NC)	122.3922	0.323	4	122.3922	0.104	4	122.4743	0.154	6	121.3263	1.581	38	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:3:2:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCCH)	C(CC[6a]HN)(CH3)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCCH)	C(CC[6a]HN)(CH3)(NC)(H)	C(C[6a]C[6a]2)2(NC)	121.7915	0.103	2	121.7915	0.011	2	121.9067	0.045	3	121.3263	1.581	38	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:3:2:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCCH)	C(CHHN)(CH3)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCCH)	C(CHHN)(CH3)(NC)(H)	C(C[6a]C[6a]2)2(NC)	122.1370	0.000	1	122.1370	0.000	1	121.9067	0.045	3	121.3263	1.581	38	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:3:2:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6,6a]C[6a])(NCH)(NC)	N(CC[6a]N)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6,6a]C[6a])(NCH)(NC)	120.0595	0.384	2	120.0595	0.147	2	121.2278	1.333	18	121.3263	1.581	38	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:3:2:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(NC)	N(CC[6a]N)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(NC)	121.8520	1.294	2	121.8520	1.674	2	121.2278	1.333	18	121.3263	1.581	38	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:3:2:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a]2)(NCC)(NC)	N(CC[6a]N)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a]2)(NCC)(NC)	121.4610	1.881	3	121.4610	3.540	3	121.2278	1.333	18	121.3263	1.581	38	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:3:2:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a]2)(NCH)(NC)	N(CC[6a]N)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a]2)(NCH)(NC)	121.2890	0.000	1	121.2890	0.000	1	121.2278	1.333	18	121.3263	1.581	38	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:3:2:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a]2)(NSiC)(NC)	N(CC[6a]N)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a]2)(NSiC)(NC)	120.7360	0.447	4	120.7360	0.200	4	121.2278	1.333	18	121.3263	1.581	38	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:3:2:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a]2)(NSi[4,5]C)(NC)	N(CC[6a]N)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a]2)(NSi[4,5]C)(NC)	123.5910	0.000	1	123.5910	0.000	1	121.2278	1.333	18	121.3263	1.581	38	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:3:2:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a]2)(NSi[4]C)(NC)	N(CC[6a]N)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a]2)(NSi[4]C)(NC)	121.2690	0.000	1	121.2690	0.000	1	121.2278	1.333	18	121.3263	1.581	38	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:3:2:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a]2)(NSi[5]C)(NC)	N(CC[6a]N)(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a]2)(NSi[5]C)(NC)	121.2002	0.987	4	121.2002	0.975	4	121.2278	1.333	18	121.3263	1.581	38	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:3:2:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N[6]-3:N-2:	N(CC[6a]N[6])(CCCH)	C(CCCH)(CHHO)(NC)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	N(CC[6a]N[6])(CCCH)	C(CCCH)(CHHO)(NC)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	119.0553	1.572	3	119.0553	2.470	3	119.2565	1.809	4	121.3263	1.581	38	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:3:2:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N[6]-3:N-2:	N(CC[6a]N[6])(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	N(CC[6a]N[6])(CCCH)	C(CH3)2(NC)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	119.8600	0.000	1	119.8600	0.000	1	119.2565	1.809	4	121.3263	1.581	38	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	3:3:2:	C-3:C-4:	C-4:C-4:N-2:H-1:	N[5a]-3:N-3:N-2:	N(CN[5a]N)(CCCH)	C(CH3)2(NC)(H)	C(N[5a]C[5a]2)(NCH)(NC)	N(CN[5a]N)(CCCH)	C(CH3)2(NC)(H)	C(N[5a]C[5a]2)(NCH)(NC)	121.5299	0.713	7	121.5299	0.508	7	121.5299	0.508	7	121.3263	1.581	38	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	4:2:1:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6]-4:N-2:O-1:	N(CC[6]O)(CCCH)	C(CCHH)(CH3)(NC)(H)	C(C[6]C[6,6]C[6]H)(NC)(O)	N(CC[6]O)(CCCH)	C(CCHH)(CH3)(NC)(H)	C(C[6]C[6,6]C[6]H)(NC)(O)	117.3380	0.000	1	117.3380	0.000	1	117.3380	0.000	1	117.3380	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	4:4:2:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[6]-4:C-4:N-2:	N(CC[6]C)(CCCH)	C(CH3)2(NC)(H)	C(C[6]C[6]2C)(CC[6a]2H)(NC)	N(CC[6]C)(CCCH)	C(CH3)2(NC)(H)	C(C[6]C[6]2C)(CC[6a]2H)(NC)	124.5240	0.000	1	124.5240	0.000	1	124.5240	0.000	1	124.5240	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	5:3:2:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[3x3,4,3x5,14x6]-5:N-3:N-2:	N(CC[3x3,4,3x5,14x6]N)(CCCH)	C(CH3)2(NC)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NSiC)(NC)	N(CC[3x3,4,3x5,14x6]N)(CCCH)	C(CH3)2(NC)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NSiC)(NC)	123.7280	0.000	1	123.7280	0.000	1	123.7280	0.000	1	123.7280	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	6:3:2:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[5x3,5x5,20x6]-6:N-3:N-2:	N(CC[5x3,5x5,20x6]N)(CCCH)	C(CH3)2(NC)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(NC)	N(CC[5x3,5x5,20x6]N)(CCCH)	C(CH3)2(NC)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(NC)	123.5960	0.000	1	123.5960	0.000	1	127.4363	11.456	3	127.4363	11.456	3	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:2:1:	6:3:2:	C-3:C-4:	C-4:C-4:N-2:H-1:	C[5x3,5x5,20x6]-6:N-3:N-2:	N(CC[5x3,5x5,20x6]N)(CCCH)	C(CH3)2(NC)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NSnC)(NC)	N(CC[5x3,5x5,20x6]N)(CCCH)	C(CH3)2(NC)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NSnC)(NC)	129.3565	0.889	2	129.3565	0.790	2	127.4363	11.456	3	127.4363	11.456	3	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:3:2:	3:2:1:	C-3:C-4:	C-4:C-4:C-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CC3)	C(CCCN)(CH3)(COO)(NC)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CC3)	C(CCCN)(CH3)(COO)(NC)	C(C[6a]C[6a]2)(NC)(H)	120.5665	0.870	2	120.5665	0.758	2	120.5665	0.758	2	122.9997	18.140	3	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:3:2:	3:2:1:	C-3:C-4:	C-4:C-4:C-3:N-2:	C[6a]-3:N-2:O-1:	N(CC[6a]O)(CC3)	C(CC[6a]HH)(CCHN)(COO)(NC)	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]O)(CC3)	C(CC[6a]HH)(CCHN)(COO)(NC)	C(C[6a]C[6a]2)(NC)(O)	127.8660	0.000	1	127.8660	0.000	1	127.8660	0.000	1	122.9997	18.140	3	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:2:1:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[5]-3:N-2:H-1:	N(CC[5]H)(CC3)	C(CH3)3(NC)	C(C[5]C[5]2)(NC)(H)	N(CC[5]H)(CC3)	C(CH3)3(NC)	C(C[5]C[5]2)(NC)(H)	120.0000	0.628	2	120.0000	0.394	2	120.2968	0.605	4	121.8931	6.511	23	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:2:1:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[5]-3:N-2:H-1:	N(CC[5]H)(CC3)	C(CH3)3(NC)	C(C[5]C[5]N[5])(NC)(H)	N(CC[5]H)(CC3)	C(CH3)3(NC)	C(C[5]C[5]N[5])(NC)(H)	120.5935	1.033	2	120.5935	1.067	2	120.2968	0.605	4	121.8931	6.511	23	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:2:1:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(CC3)	C(CH3)3(NC)	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[5a]H)(CC3)	C(CH3)3(NC)	C(C[5a]C[5a]N[5a])(NC)(H)	120.6920	0.774	3	120.6920	0.598	3	120.6920	0.598	3	121.8931	6.511	23	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:2:1:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[5a]-3:N-2:O-1:	N(CC[5a]O)(CC3)	C(CH3)3(NC)	C(C[5a]C[5a]N[5a])(NC)(O)	N(CC[5a]O)(CC3)	C(CH3)3(NC)	C(C[5a]C[5a]N[5a])(NC)(O)	127.1165	1.917	2	127.1165	3.675	2	127.1165	3.675	2	121.8931	6.511	23	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:2:1:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CC3)	C(CCCH)(CCHH)(CF3)(NC)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CC3)	C(CCCH)(CCHH)(CF3)(NC)	C(C[6a]C[6a]2)(NC)(H)	120.4140	0.000	1	120.4140	0.000	1	121.3236	1.252	13	121.8931	6.511	23	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:2:1:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CC3)	C(CH3)3(NC)	C(C[6a]C[5,6,6a]C[6a])(NC)(H)	N(CC[6a]H)(CC3)	C(CH3)3(NC)	C(C[6a]C[5,6,6a]C[6a])(NC)(H)	121.5090	0.000	1	121.5090	0.000	1	121.3236	1.252	13	121.8931	6.511	23	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:2:1:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CC3)	C(CH3)3(NC)	C(C[6a]C[5,6a]C[6a])(NC)(H)	N(CC[6a]H)(CC3)	C(CH3)3(NC)	C(C[6a]C[5,6a]C[6a])(NC)(H)	121.8240	0.000	1	121.8240	0.000	1	121.3236	1.252	13	121.8931	6.511	23	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:2:1:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(NC)(H)	121.3460	1.243	10	121.3460	1.545	10	121.3236	1.252	13	121.8931	6.511	23	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:2:1:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[6a]-3:N-2:O-1:	N(CC[6a]O)(CC3)	C(CCCN)(CH3)2(NC)	C(C[6a]C[6a]N[6a])(NC)(O)	N(CC[6a]O)(CC3)	C(CCCN)(CH3)2(NC)	C(C[6a]C[6a]N[6a])(NC)(O)	128.8380	0.000	1	128.8380	0.000	1	128.8380	0.000	1	121.8931	6.511	23	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:2:2:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[6]-3:O-2:N-2:	N(CC[6]O)(CC3)	C(CCCN)(CH3)2(NC)	C(C[6]C[6]N[6])(OOs)(NC)	N(CC[6]O)(CC3)	C(CCCN)(CH3)2(NC)	C(C[6]C[6]N[6])(OOs)(NC)	124.8190	0.000	1	124.8190	0.000	1	124.6465	0.060	2	124.8120	6.264	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:2:2:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[6]-3:O-2:N-2:	N(CC[6]O)(CC3)	C(CCCN)(CH3)2(NC)	C(C[6]C[6]N[6])(ORu)(NC)	N(CC[6]O)(CC3)	C(CCCN)(CH3)2(NC)	C(C[6]C[6]N[6])(ORu)(NC)	124.4740	0.000	1	124.4740	0.000	1	124.6465	0.060	2	124.8120	6.264	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:2:2:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[6a]-3:N-2:N-2:	N(CC[6a]N)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(NC)(NP)	N(CC[6a]N)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(NC)(NP)	123.7080	0.000	1	123.7080	0.000	1	123.7080	0.000	1	124.8120	6.264	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:2:2:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[6a]-3:O-2:N-2:	N(CC[6a]O)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(OIr)(NC)	N(CC[6a]O)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(OIr)(NC)	127.4980	0.238	2	127.4980	0.056	2	127.4980	0.056	2	124.8120	6.264	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:2:2:	C-3:C-4:	C-4:C-4:C-4:N-2:	N[6]-3:O-2:N-2:	N(CN[6]O)(CC3)	C(CH3)3(NC)	C(N[6]C[6]2)(OMg)(NC)	N(CN[6]O)(CC3)	C(CH3)3(NC)	C(N[6]C[6]2)(OMg)(NC)	120.8750	0.000	1	120.8750	0.000	1	120.8750	0.000	1	124.8120	6.264	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:3:2:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(NCH)(NC)	N(CC[6a]N)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(NCH)(NC)	127.8790	0.000	1	127.8790	0.000	1	128.0061	2.094	18	128.0061	2.094	18	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:3:2:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(NGeC)(NC)	N(CC[6a]N)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(NGeC)(NC)	127.6075	0.313	2	127.6075	0.098	2	128.0061	2.094	18	128.0061	2.094	18	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:3:2:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(NSiC)(NC)	N(CC[6a]N)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(NSiC)(NC)	127.6163	1.196	6	127.6163	1.430	6	128.0061	2.094	18	128.0061	2.094	18	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:3:2:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(NSiTh)(NC)	N(CC[6a]N)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(NSiTh)(NC)	132.8130	0.000	1	132.8130	0.000	1	128.0061	2.094	18	128.0061	2.094	18	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:3:2:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(NSi[4,5]C)(NC)	N(CC[6a]N)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(NSi[4,5]C)(NC)	127.7303	0.570	3	127.7303	0.325	3	128.0061	2.094	18	128.0061	2.094	18	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:3:2:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(NSi[4]C)(NC)	N(CC[6a]N)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(NSi[4]C)(NC)	128.1565	0.657	4	128.1565	0.432	4	128.0061	2.094	18	128.0061	2.094	18	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	3:3:2:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(NSi[6]C)(NC)	N(CC[6a]N)(CC3)	C(CH3)3(NC)	C(C[6a]C[6a]2)(NSi[6]C)(NC)	126.6880	0.000	1	126.6880	0.000	1	128.0061	2.094	18	128.0061	2.094	18	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	4:2:1:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[3]-4:N-2:O-1:	N(CC[3]O)(CC3)	C(CH3)3(NC)	C(C[3]C[3]2H)(NC)(O)	N(CC[3]O)(CC3)	C(CH3)3(NC)	C(C[3]C[3]2H)(NC)(O)	126.5390	0.000	1	126.5390	0.000	1	126.5390	0.000	1	126.9020	0.264	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	3:4:	4:4:4:2:	4:2:1:	C-3:C-4:	C-4:C-4:C-4:N-2:	C[5,6]-4:N-2:O-1:	N(CC[5,6]O)(CC3)	C(CH3)3(NC)	C(C[5,6]C[5,5,6]N[5,5,6]H)(NC)(O)	N(CC[5,6]O)(CC3)	C(CH3)3(NC)	C(C[5,6]C[5,5,6]N[5,5,6]H)(NC)(O)	127.2650	0.000	1	127.2650	0.000	1	127.2650	0.000	1	126.9020	0.264	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	2:1:1:	C-4:C-3:	N-2:H-1:H-1:H-1:	N-2:H-1:O-1:	N(CH3)(CHO)	C(NC)(H)3	C(NC)(H)(O)	N(CH3)(CHO)	C(NC)(H)3	C(NC)(H)(O)	125.7826	7.897	14	125.7826	62.360	14	125.7826	62.360	14	125.7826	62.360	14	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	2:2:1:	C-4:C-3:	N-2:H-1:H-1:H-1:	N-2:N-2:O-1:	N(CH3)(CNO)	C(NC)(H)3	C(NC)2(O)	N(CH3)(CNO)	C(NC)(H)3	C(NC)2(O)	118.4670	0.000	1	118.4670	0.000	1	118.4670	0.000	1	124.3840	45.029	3	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	2:2:1:	C-4:C-3:	N-2:H-1:H-1:H-1:	N-2:N-2:S-1:	N(CH3)(CNS)	C(NC)(H)3	C(NC)(NN)(S)	N(CH3)(CNS)	C(NC)(H)3	C(NC)(NN)(S)	123.0100	0.000	1	123.0100	0.000	1	123.0100	0.000	1	124.3840	45.029	3	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	2:2:1:	C-4:C-3:	N-2:H-1:H-1:H-1:	O-2:N-2:C-1:	N(CH3)(CCO)	C(NC)(H)3	C(OCu)(NC)(C)	N(CH3)(CCO)	C(NC)(H)3	C(OCu)(NC)(C)	131.6750	0.000	1	131.6750	0.000	1	131.6750	0.000	1	124.3840	45.029	3	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	2:2:2:	C-4:C-3:	N-2:H-1:H-1:H-1:	S-2:N-2:N-2:	N(CH3)(CNS)	C(NC)(H)3	C(SBi)(NC)(NN)	N(CH3)(CNS)	C(NC)(H)3	C(SBi)(NC)(NN)	120.6670	0.000	1	120.6670	0.000	1	122.9787	1.185	10	122.5472	3.115	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	2:2:2:	C-4:C-3:	N-2:H-1:H-1:H-1:	S-2:N-2:N-2:	N(CH3)(CNS)	C(NC)(H)3	C(SCd)(NC)(NN)	N(CH3)(CNS)	C(NC)(H)3	C(SCd)(NC)(NN)	122.7320	0.000	1	122.7320	0.000	1	122.9787	1.185	10	122.5472	3.115	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	2:2:2:	C-4:C-3:	N-2:H-1:H-1:H-1:	S-2:N-2:N-2:	N(CH3)(CNS)	C(NC)(H)3	C(SCo)(NC)(NN)	N(CH3)(CNS)	C(NC)(H)3	C(SCo)(NC)(NN)	122.3800	0.000	1	122.3800	0.000	1	122.9787	1.185	10	122.5472	3.115	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	2:2:2:	C-4:C-3:	N-2:H-1:H-1:H-1:	S-2:N-2:N-2:	N(CH3)(CNS)	C(NC)(H)3	C(SCu)(NC)(NN)	N(CH3)(CNS)	C(NC)(H)3	C(SCu)(NC)(NN)	123.9680	0.700	3	123.9680	0.490	3	122.9787	1.185	10	122.5472	3.115	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	2:2:2:	C-4:C-3:	N-2:H-1:H-1:H-1:	S-2:N-2:N-2:	N(CH3)(CNS)	C(NC)(H)3	C(SNi)(NC)(NN)	N(CH3)(CNS)	C(NC)(H)3	C(SNi)(NC)(NN)	123.0520	0.697	3	123.0520	0.486	3	122.9787	1.185	10	122.5472	3.115	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	2:2:2:	C-4:C-3:	N-2:H-1:H-1:H-1:	S-2:N-2:N-2:	N(CH3)(CNS)	C(NC)(H)3	C(SZn)(NC)(NN)	N(CH3)(CNS)	C(NC)(H)3	C(SZn)(NC)(NN)	122.9480	0.000	1	122.9480	0.000	1	122.9787	1.185	10	122.5472	3.115	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	2:2:2:	C-4:C-3:	N-2:H-1:H-1:H-1:	S-2:S-2:N-2:	N(CH3)(CSS)	C(NC)(H)3	C(SRe)2(NC)	N(CH3)(CSS)	C(NC)(H)3	C(SRe)2(NC)	118.2320	0.000	1	118.2320	0.000	1	118.2320	0.000	1	122.5472	3.115	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	3:2:1:	C-4:C-3:	N-2:H-1:H-1:H-1:	N-3:N-2:O-1:	N(CH3)(CNO)	C(NC)(H)3	C(NCH)(NC)(O)	N(CH3)(CNO)	C(NC)(H)3	C(NCH)(NC)(O)	120.4270	0.000	1	120.4270	0.000	1	121.1517	0.333	4	122.0355	2.077	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	3:2:1:	C-4:C-3:	N-2:H-1:H-1:H-1:	N-3:N-2:O-1:	N(CH3)(CNO)	C(NC)(H)3	C(NC[5]C)(NC)(O)	N(CH3)(CNO)	C(NC)(H)3	C(NC[5]C)(NC)(O)	121.0180	0.000	1	121.0180	0.000	1	121.1517	0.333	4	122.0355	2.077	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	3:2:1:	C-4:C-3:	N-2:H-1:H-1:H-1:	N-3:N-2:O-1:	N(CH3)(CNO)	C(NC)(H)3	C(NC[6a]C)(NC)(O)	N(CH3)(CNO)	C(NC)(H)3	C(NC[6a]C)(NC)(O)	121.5810	0.297	2	121.5810	0.088	2	121.1517	0.333	4	122.0355	2.077	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	3:2:1:	C-4:C-3:	N-2:H-1:H-1:H-1:	N-3:N-2:S-1:	N(CH3)(CNS)	C(NC)(H)3	C(NC[6a]H)(NC)(S)	N(CH3)(CNS)	C(NC)(H)3	C(NC[6a]H)(NC)(S)	123.8760	0.000	1	123.8760	0.000	1	123.8030	0.011	2	122.0355	2.077	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	3:2:1:	C-4:C-3:	N-2:H-1:H-1:H-1:	N-3:N-2:S-1:	N(CH3)(CNS)	C(NC)(H)3	C(NHN)(NC)(S)	N(CH3)(CNS)	C(NC)(H)3	C(NHN)(NC)(S)	123.7300	0.000	1	123.7300	0.000	1	123.8030	0.011	2	122.0355	2.077	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	3:2:2:	C-4:C-3:	N-2:H-1:H-1:H-1:	C-3:N-2:O-2:	N(CH3)(CCO)	C(NC)(H)3	C(CCC)(NC)(OH)	N(CH3)(CCO)	C(NC)(H)3	C(CCC)(NC)(OH)	123.1835	0.510	2	123.1835	0.260	2	123.1835	0.260	2	122.7143	0.790	3	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	3:2:2:	C-4:C-3:	N-2:H-1:H-1:H-1:	N-3:N-2:N-2:	N(CH3)(CNN)	C(NC)(H)3	C(NCH)(NC)2	N(CH3)(CNN)	C(NC)(H)3	C(NCH)(NC)2	121.7760	0.000	1	121.7760	0.000	1	121.7760	0.000	1	122.7143	0.790	3	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	4:2:1:	C-4:C-3:	N-2:H-1:H-1:H-1:	C-4:N-2:N-1:	N(CH3)(CCN)	C(NC)(H)3	C(CClNN)(NC)(N)	N(CH3)(CCN)	C(NC)(H)3	C(CClNN)(NC)(N)	120.2810	0.000	1	120.2810	0.000	1	120.2810	0.000	1	136.8719	172.715	15	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	4:2:1:	C-4:C-3:	N-2:H-1:H-1:H-1:	C-4:N-2:O-1:	N(CH3)(CCO)	C(NC)(H)3	C(CCCH)(NC)(O)	N(CH3)(CCO)	C(NC)(H)3	C(CCCH)(NC)(O)	123.0040	0.000	1	123.0040	0.000	1	138.0570	163.315	14	136.8719	172.715	15	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	4:2:1:	C-4:C-3:	N-2:H-1:H-1:H-1:	C-4:N-2:O-1:	N(CH3)(CCO)	C(NC)(H)3	C(CCHN)(NC)(O)	N(CH3)(CCO)	C(NC)(H)3	C(CCHN)(NC)(O)	122.8020	0.000	1	122.8020	0.000	1	138.0570	163.315	14	136.8719	172.715	15	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	4:2:1:	C-4:C-3:	N-2:H-1:H-1:H-1:	C-4:N-2:O-1:	N(CH3)(CCO)	C(NC)(H)3	C(CC[6a]HH)(NC)(O)	N(CH3)(CCO)	C(NC)(H)3	C(CC[6a]HH)(NC)(O)	121.2320	0.000	1	121.2320	0.000	1	138.0570	163.315	14	136.8719	172.715	15	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	4:2:1:	C-4:C-3:	N-2:H-1:H-1:H-1:	C-4:N-2:O-1:	N(CH3)(CCO)	C(NC)(H)3	C(CH3)(NC)(O)	N(CH3)(CCO)	C(NC)(H)3	C(CH3)(NC)(O)	144.3081	9.150	10	144.3081	83.717	10	138.0570	163.315	14	136.8719	172.715	15	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	2:1:1:1:	4:2:1:	C-4:C-3:	N-2:H-1:H-1:H-1:	C-4:N-2:O-1:	N(CH3)(CCO)	C(NC)(H)3	C(CHHN)(NC)(O)	N(CH3)(CCO)	C(NC)(H)3	C(CHHN)(NC)(O)	122.6790	0.000	1	122.6790	0.000	1	138.0570	163.315	14	136.8719	172.715	15	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	2:2:1:	C-4:C-3:	C-3:N-2:H-1:H-1:	N-2:O-2:O-1:	N(CCHH)(COO)	C(CCH)(NC)(H)2	C(NC)(OC)(O)	N(CCHH)(COO)	C(CCH)(NC)(H)2	C(NC)(OC)(O)	121.5590	0.000	1	121.5590	0.000	1	121.5590	0.000	1	124.0530	12.440	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	2:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	N-2:N-2:S-1:	N(CC[6a]HH)(CNS)	C(C[6a]C[6a]2)(NC)(H)2	C(NC)2(S)	N(CC[6a]HH)(CNS)	C(C[6a]C[6a]2)(NC)(H)2	C(NC)2(S)	126.5470	0.000	1	126.5470	0.000	1	126.5470	0.000	1	124.0530	12.440	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	2:2:2:	C-4:C-3:	C[5a]-3:N-2:H-1:H-1:	S-2:N-2:S-2:	N(CC[5a]HH)(CSS)	C(C[5a]C[5a,6a]C[5a])(NC)(H)2	C(SC[6a])(NC)(SC)	N(CC[5a]HH)(CSS)	C(C[5a]C[5a,6a]C[5a])(NC)(H)2	C(SC[6a])(NC)(SC)	119.6260	0.092	2	119.6260	0.008	2	119.6260	0.008	2	119.6260	0.008	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C-3:N-2:H-1:H-1:	C-3:N-2:O-1:	N(CCHH)(CCO)	C(COO)(NC)(H)2	C(CNO)(NC)(O)	N(CCHH)(CCO)	C(COO)(NC)(H)2	C(CNO)(NC)(O)	122.5980	0.000	1	122.5980	0.000	1	122.5980	0.000	1	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C-3:N-2:H-1:H-1:	N-3:N-2:O-1:	N(CCHH)(CNO)	C(CCO)(NC)(H)2	C(NC[6a]H)(NC)(O)	N(CCHH)(CNO)	C(CCO)(NC)(H)2	C(NC[6a]H)(NC)(O)	119.5140	0.000	1	119.5140	0.000	1	119.5140	0.000	1	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[5a]-3:N-2:H-1:H-1:	C[5a]-3:N-2:H-1:	N(CC[5a]HH)(CC[5a]H)	C(C[5a]C[5a]S[5a])(NC)(H)2	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[5a]HH)(CC[5a]H)	C(C[5a]C[5a]S[5a])(NC)(H)2	C(C[5a]C[5a]N[5a])(NC)(H)	116.0590	0.000	1	116.0590	0.000	1	116.0590	0.000	1	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[5a]-3:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[5a]HH)(CC[6a]H)	C(C[5a]C[5a]S[5a])(NC)(H)2	C(C[6a]C[6a,6a]2)(NC)(H)	N(CC[5a]HH)(CC[6a]H)	C(C[5a]C[5a]S[5a])(NC)(H)2	C(C[6a]C[6a,6a]2)(NC)(H)	116.0840	0.000	1	116.0840	0.000	1	119.0397	11.744	3	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[5a]-3:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[5a]HH)(CC[6a]H)	C(C[5a]C[5a]S[5a])(NC)(H)2	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[5a]HH)(CC[6a]H)	C(C[5a]C[5a]S[5a])(NC)(H)2	C(C[6a]C[6a,6a]C[6a])(NC)(H)	122.7960	0.000	1	122.7960	0.000	1	119.0397	11.744	3	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[5a]-3:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[5a]HH)(CC[6a]H)	C(C[5a]C[5a]S[5a])(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[5a]HH)(CC[6a]H)	C(C[5a]C[5a]S[5a])(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	118.2390	0.000	1	118.2390	0.000	1	119.0397	11.744	3	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6]-3:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6]HH)(CC[6a]H)	C(C[6]C[6]2)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6]HH)(CC[6a]H)	C(C[6]C[6]2)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	118.3530	0.000	1	118.3530	0.000	1	118.3530	0.000	1	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6]-3:N-2:H-1:H-1:	N-3:N-2:S-1:	N(CC[6]HH)(CNS)	C(C[6]C[6]2)(NC)(H)2	C(NCH)(NC)(S)	N(CC[6]HH)(CNS)	C(C[6]C[6]2)(NC)(H)2	C(NCH)(NC)(S)	124.5640	0.000	1	124.5640	0.000	1	124.5640	0.000	1	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C-3:N-2:H-1:	N(CC[6a]HH)(CCH)	C(C[6a]C[6a]2)(NC)(H)2	C(CCH)(NC)(H)	N(CC[6a]HH)(CCH)	C(C[6a]C[6a]2)(NC)(H)2	C(CCH)(NC)(H)	116.4110	0.000	1	116.4110	0.000	1	116.4110	0.000	1	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C-3:N-2:O-1:	N(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC)(H)2	C(CC[5a]O)(NC)(O)	N(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC)(H)2	C(CC[5a]O)(NC)(O)	121.6710	0.000	1	121.6710	0.000	1	121.6710	0.000	1	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[5]-3:N-2:O-1:	N(CC[6a]HH)(CC[5]O)	C(C[6a]C[6a]2)(NC)(H)2	C(C[5]N[5]2)(NC)(O)	N(CC[6a]HH)(CC[5]O)	C(C[6a]C[6a]2)(NC)(H)2	C(C[5]N[5]2)(NC)(O)	115.3510	0.000	1	115.3510	0.000	1	115.3510	0.000	1	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[5a]-3:N-2:H-1:	N(CC[6a]HH)(CC[5a]H)	C(C[6a]C[6a]2)(NC)(H)2	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[6a]HH)(CC[5a]H)	C(C[6a]C[6a]2)(NC)(H)2	C(C[5a]C[5a]N[5a])(NC)(H)	116.1915	0.796	6	116.1915	0.634	6	116.3718	0.552	9	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[5a]-3:N-2:H-1:	N(CC[6a]HH)(CC[5a]H)	C(C[6a]C[6a]2)(NC)(H)2	C(C[5a]C[5a]S[5a])(NC)(H)	N(CC[6a]HH)(CC[5a]H)	C(C[6a]C[6a]2)(NC)(H)2	C(C[5a]C[5a]S[5a])(NC)(H)	116.7323	0.574	3	116.7323	0.330	3	116.3718	0.552	9	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[5a]-3:N-2:O-1:	N(CC[6a]HH)(CC[5a]O)	C(C[6a]C[6a]2)(NC)(H)2	C(C[5a]C[5a]N[5a])(NC)(O)	N(CC[6a]HH)(CC[5a]O)	C(C[6a]C[6a]2)(NC)(H)2	C(C[5a]C[5a]N[5a])(NC)(O)	122.7340	0.000	1	122.7340	0.000	1	122.7340	0.000	1	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a,6a]2)(NC)(H)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a,6a]2)(NC)(H)	116.7440	0.000	1	116.7440	0.000	1	118.3552	2.830	57	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a,6a]C[6a])(NC)(H)	119.6590	2.166	5	119.6590	4.691	5	118.3552	2.830	57	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	118.3136	1.691	43	118.3136	2.858	43	118.3552	2.830	57	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(H)	117.4365	0.060	2	117.4365	0.004	2	118.3552	2.830	57	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	118.1418	1.145	6	118.1418	1.311	6	118.3552	2.830	57	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a,6a]2)(NC)(H)2	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a,6a]2)(NC)(H)2	C(C[6a]C[6a]2)(NC)(O)	121.0535	0.779	2	121.0535	0.606	2	122.8738	3.274	13	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a,6a]N[6a])(NC)(O)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a,6a]N[6a])(NC)(O)	121.6220	0.000	1	121.6220	0.000	1	122.8738	3.274	13	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]2)(NC)(O)	122.8897	3.507	3	122.8897	12.301	3	122.8738	3.274	13	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(O)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(O)	123.4736	0.740	5	123.4736	0.547	5	122.8738	3.274	13	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC)(H)2	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC)(H)2	C(C[6a]C[6a]2)(NC)(O)	123.4860	0.000	1	123.4860	0.000	1	122.8738	3.274	13	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(O)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(O)	124.1070	0.000	1	124.1070	0.000	1	122.8738	3.274	13	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	N-3:N-2:O-1:	N(CC[6a]HH)(CNO)	C(C[6a]C[6a]N[6a])(NC)(H)2	C(NCH)(NC)(O)	N(CC[6a]HH)(CNO)	C(C[6a]C[6a]N[6a])(NC)(H)2	C(NCH)(NC)(O)	119.9500	0.000	1	119.9500	0.000	1	119.9500	0.000	1	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	N-3:N-2:S-1:	N(CC[6a]HH)(CNS)	C(C[6a]C[6a]2)(NC)(H)2	C(NCC)(NC)(S)	N(CC[6a]HH)(CNS)	C(C[6a]C[6a]2)(NC)(H)2	C(NCC)(NC)(S)	125.2400	0.000	1	125.2400	0.000	1	125.2400	0.000	1	119.0378	6.964	93	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:2:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C-3:N-2:S-2:	N(CC[6a]HH)(CCS)	C(C[6a]C[6a]2)(NC)(H)2	C(CCS)(NC)(SC)	N(CC[6a]HH)(CCS)	C(C[6a]C[6a]2)(NC)(H)2	C(CCS)(NC)(SC)	126.3210	0.000	1	126.3210	0.000	1	126.3210	0.000	1	121.8198	14.895	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:2:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[5a]-3:S-2:N-2:	N(CC[6a]HH)(CC[5a]S)	C(C[6a]C[6a]2)(NC)(H)2	C(C[5a]C[5a]N[5a])(SPd)(NC)	N(CC[6a]HH)(CC[5a]S)	C(C[6a]C[6a]2)(NC)(H)2	C(C[5a]C[5a]N[5a])(SPd)(NC)	125.5790	0.000	1	125.5790	0.000	1	125.5790	0.000	1	121.8198	14.895	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:2:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6]-3:S-2:N-2:	N(CC[6a]HH)(CC[6]S)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6]C[6]N[6])(SRu)(NC)	N(CC[6a]HH)(CC[6]S)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6]C[6]N[6])(SRu)(NC)	118.6607	2.081	3	118.6607	4.330	3	118.6607	4.330	3	121.8198	14.895	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:2:2:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	N-3:N-2:N-2:	N(CC[6a]HH)(CNN)	C(C[6a]C[6a]2)(NC)(H)2	C(NHH)(NC)(NH)	N(CC[6a]HH)(CNN)	C(C[6a]C[6a]2)(NC)(H)2	C(NHH)(NC)(NH)	123.0370	0.000	1	123.0370	0.000	1	123.0370	0.000	1	121.8198	14.895	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:3:2:	C-4:C-3:	C[5a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[5a]HH)(CC[6a]2)	C(C[5a]C[5a]N[5a])(NC)(H)2	C(C[6a]C[6a]2)2(NC)	N(CC[5a]HH)(CC[6a]2)	C(C[5a]C[5a]N[5a])(NC)(H)2	C(C[6a]C[6a]2)2(NC)	116.7390	0.000	1	116.7390	0.000	1	117.0115	0.149	2	119.5936	22.446	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:3:2:	C-4:C-3:	C[5a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[5a]HH)(CC[6a]2)	C(C[5a]N[5a]2)(NC)(H)2	C(C[6a]C[6a]2)2(NC)	N(CC[5a]HH)(CC[6a]2)	C(C[5a]N[5a]2)(NC)(H)2	C(C[6a]C[6a]2)2(NC)	117.2840	0.000	1	117.2840	0.000	1	117.0115	0.149	2	119.5936	22.446	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:3:2:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[5a]-3:C[5a]-3:N-2:	N(CC[6a]HH)(CC[5a]2)	C(C[6a]C[6a]2)(NC)(H)2	C(C[5a]C[5a]N[5a])2(NC)	N(CC[6a]HH)(CC[5a]2)	C(C[6a]C[6a]2)(NC)(H)2	C(C[5a]C[5a]N[5a])2(NC)	129.4090	0.000	1	129.4090	0.000	1	129.4090	0.000	1	119.5936	22.446	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:3:2:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6]-3:S-3:N-2:	N(CC[6a]HH)(CC[6]S)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6]C[6]N[6])(SRu2)(NC)	N(CC[6a]HH)(CC[6]S)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6]C[6]N[6])(SRu2)(NC)	121.6030	0.000	1	121.6030	0.000	1	121.6030	0.000	1	119.5936	22.446	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:3:2:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C-3:N-2:	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]2)(CCN)(NC)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]2)(CCN)(NC)	116.3715	0.060	2	116.3715	0.004	2	117.3733	3.013	3	119.5936	22.446	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:3:2:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C-3:N-2:	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]2)(CNO)(NC)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]2)(CNO)(NC)	119.3770	0.000	1	119.3770	0.000	1	117.3733	3.013	3	119.5936	22.446	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:4:2:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(NC)(H)2	C(C[6a]C[6a]2)(CH3)(NC)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(NC)(H)2	C(C[6a]C[6a]2)(CH3)(NC)	120.4610	0.000	1	120.4610	0.000	1	119.8540	1.559	5	120.1570	1.798	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:4:2:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]2)(CH3)(NC)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]2)(CH3)(NC)	118.6640	0.000	1	118.6640	0.000	1	119.8540	1.559	5	120.1570	1.798	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:4:2:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]N[6a])(CH3)(NC)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(NC)(H)2	C(C[6a]C[6a]N[6a])(CH3)(NC)	118.5370	0.000	1	118.5370	0.000	1	119.8540	1.559	5	120.1570	1.798	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:4:2:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC)(H)2	C(C[6a]C[6a]2)(CH3)(NC)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC)(H)2	C(C[6a]C[6a]2)(CH3)(NC)	120.8040	0.955	2	120.8040	0.911	2	119.8540	1.559	5	120.1570	1.798	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	3:4:2:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	N[5a]-3:C-4:N-2:	N(CC[6a]HH)(CN[5a]C)	C(C[6a]C[6a]2)(NC)(H)2	C(N[5a]C[5a,6a]C[5a])(CBrFF)(NC)	N(CC[6a]HH)(CN[5a]C)	C(C[6a]C[6a]2)(NC)(H)2	C(N[5a]C[5a,6a]C[5a])(CBrFF)(NC)	121.6720	0.000	1	121.6720	0.000	1	121.6720	0.000	1	120.1570	1.798	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	4:2:1:	C-4:C-3:	C-3:N-2:H-1:H-1:	C-4:N-2:O-1:	N(CCHH)(CCO)	C(COO)(NC)(H)2	C(CHHN)(NC)(O)	N(CCHH)(CCO)	C(COO)(NC)(H)2	C(CHHN)(NC)(O)	120.3000	0.000	1	120.3000	0.000	1	120.3000	0.000	1	118.0275	3.154	8	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	4:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C-4:N-2:O-1:	N(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC)(H)2	C(CCCH)(NC)(O)	N(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC)(H)2	C(CCCH)(NC)(O)	120.0980	0.000	1	120.0980	0.000	1	120.0560	0.004	2	118.0275	3.154	8	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	4:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C-4:N-2:O-1:	N(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC)(H)2	C(CN[6a]HH)(NC)(O)	N(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC)(H)2	C(CN[6a]HH)(NC)(O)	120.0140	0.000	1	120.0140	0.000	1	120.0560	0.004	2	118.0275	3.154	8	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	4:2:1:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C[5]-4:N-2:H-1:	N(CC[6a]HH)(CC[5]H)	C(C[6a]C[6a]2)(NC)(H)2	C(C[5]C[5]2Fe)(NC)(H)	N(CC[6a]HH)(CC[5]H)	C(C[6a]C[6a]2)(NC)(H)2	C(C[5]C[5]2Fe)(NC)(H)	116.7616	0.409	5	116.7616	0.167	5	116.7616	0.167	5	118.0275	3.154	8	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	4:2:2:	C-4:C-3:	C[6]-3:N-2:H-1:H-1:	C-4:O-2:N-2:	N(CC[6]HH)(CCO)	C(C[6]C[6]N[6])(NC)(H)2	C(CH3)(OCu)(NC)	N(CC[6]HH)(CCO)	C(C[6]C[6]N[6])(NC)(H)2	C(CH3)(OCu)(NC)	124.9420	0.000	1	124.9420	0.000	1	124.9420	0.000	1	122.2583	9.032	3	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	4:2:2:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C-4:O-2:N-2:	N(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC)(H)2	C(CHHN)(OIn)(NC)	N(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC)(H)2	C(CHHN)(OIn)(NC)	120.9165	2.695	2	120.9165	7.262	2	120.9165	7.262	2	122.2583	9.032	3	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	4:3:2:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:N-2:	N(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(NC)(H)2	C(CH3)(CCC)(NC)	N(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(NC)(H)2	C(CH3)(CCC)(NC)	119.5232	0.317	6	119.5232	0.100	6	120.0491	4.995	8	121.1478	9.251	10	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	4:3:2:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:N-2:	N(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(NC)(H)2	C(CH3)(CCH)(NC)	N(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(NC)(H)2	C(CH3)(CCH)(NC)	117.8970	0.000	1	117.8970	0.000	1	120.0491	4.995	8	121.1478	9.251	10	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	4:3:2:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C-4:C-3:N-2:	N(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(NC)(H)2	C(CH3)(CCN)(NC)	N(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(NC)(H)2	C(CH3)(CCN)(NC)	125.3570	0.000	1	125.3570	0.000	1	120.0491	4.995	8	121.1478	9.251	10	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	4:3:2:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C-4:N-3:N-2:	N(CC[6a]HH)(CCN)	C(C[6a]C[6a]2)(NC)(H)2	C(CH3)(NCC)(NC)	N(CC[6a]HH)(CCN)	C(C[6a]C[6a]2)(NC)(H)2	C(CH3)(NCC)(NC)	125.5425	0.100	2	125.5425	0.010	2	125.5425	0.010	2	121.1478	9.251	10	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:1:1:	4:4:2:	C-4:C-3:	C[6a]-3:N-2:H-1:H-1:	C-4:C-4:N-2:	N(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(NC)(H)2	C(CCHH)(CF3)(NC)	N(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(NC)(H)2	C(CCHH)(CF3)(NC)	119.1710	0.000	2	119.1710	0.000	2	119.1710	0.000	2	119.1710	0.000	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:2:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:N-2:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]HN)(CC[6a]H)	C(C[6a]C[6a]2)(NC)2(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]HN)(CC[6a]H)	C(C[6a]C[6a]2)(NC)2(H)	C(C[6a]C[6a]2)(NC)(H)	119.1110	2.477	4	119.1110	6.136	4	119.1110	6.136	4	119.1110	6.136	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:2:1:	2:2:1:	C-4:C-3:	C[6a]-3:C-3:N-2:H-1:	N-2:O-2:O-1:	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCC)(NC)(H)	C(NC)(OC)(O)	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCC)(NC)(H)	C(NC)(OC)(O)	121.7020	0.000	1	121.7020	0.000	1	121.7020	0.000	1	121.7020	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:2:1:	2:2:2:	C-4:C-3:	C-3:C-3:N-2:H-1:	N-2:S-2:S-2:	N(CCCH)(CSS)	C(CNO)(COO)(NC)(H)	C(NC)(SC)2	N(CCCH)(CSS)	C(CNO)(COO)(NC)(H)	C(NC)(SC)2	120.8500	0.000	1	120.8500	0.000	1	120.8500	0.000	1	120.8500	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C-3:N-2:H-1:	C[5a]-3:N-2:H-1:	N(CC[6a]CH)(CC[5a]H)	C(C[6a]C[6a]2)(CC[6a]C)(NC)(H)	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[6a]CH)(CC[5a]H)	C(C[6a]C[6a]2)(CC[6a]C)(NC)(H)	C(C[5a]C[5a]N[5a])(NC)(H)	114.3600	0.000	1	114.3600	0.000	1	114.3600	0.000	1	116.4654	1.311	35	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CNO)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CNO)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	116.2814	0.867	22	116.2814	0.752	22	116.2814	0.752	22	116.4654	1.311	35	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]2H)(CCH)	C(C[6a]C[6a]2)2(NC)(H)	C(CCC)(NC)(H)	N(CC[6a]2H)(CCH)	C(C[6a]C[6a]2)2(NC)(H)	C(CCC)(NC)(H)	116.1945	0.340	2	116.1945	0.116	2	116.0100	0.332	6	116.4654	1.311	35	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]2H)(CCH)	C(C[6a]C[6a]2)2(NC)(H)	C(CCH)(NC)(H)	N(CC[6a]2H)(CCH)	C(C[6a]C[6a]2)2(NC)(H)	C(CCH)(NC)(H)	115.6640	0.579	3	115.6640	0.336	3	116.0100	0.332	6	116.4654	1.311	35	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]2H)(CCH)	C(C[6a]C[6a]2)2(NC)(H)	C(CHN)(NC)(H)	N(CC[6a]2H)(CCH)	C(C[6a]C[6a]2)2(NC)(H)	C(CHN)(NC)(H)	116.6790	0.000	1	116.6790	0.000	1	116.0100	0.332	6	116.4654	1.311	35	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]2H)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]2H)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	119.4770	0.000	1	119.4770	0.000	1	117.9465	1.509	6	116.4654	1.311	35	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]2H)(CC[6a]H)	C(C[6a]C[6a]2)2(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]2H)(CC[6a]H)	C(C[6a]C[6a]2)2(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	117.6404	1.088	5	117.6404	1.183	5	117.9465	1.509	6	116.4654	1.311	35	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:2:1:	3:3:2:	C-4:C-3:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2H)(CC[6a]2)	C(C[6a]C[6a]2)2(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2H)(CC[6a]2)	C(C[6a]C[6a]2)2(NC)(H)	C(C[6a]C[6a]2)2(NC)	121.7780	1.090	3	121.7780	1.187	3	121.7780	1.187	3	120.9663	3.427	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:2:1:	3:3:2:	C-4:C-3:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:N-3:N-2:	N(CC[6a]2H)(CC[6a]N)	C(C[6a]C[6a]2)2(NC)(H)	C(C[6a]C[6a]2)(NCH)(NC)	N(CC[6a]2H)(CC[6a]N)	C(C[6a]C[6a]2)2(NC)(H)	C(C[6a]C[6a]2)(NCH)(NC)	118.5310	0.000	1	118.5310	0.000	1	118.5310	0.000	1	120.9663	3.427	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:2:1:	4:2:1:	C-4:C-3:	C[6a]-3:C[6a]-3:N-2:H-1:	C[5]-4:N-2:O-1:	N(CC[6a]2H)(CC[5]O)	C(C[6a]C[6a]2)2(NC)(H)	C(C[5]C[5]N[5]H)(NC)(O)	N(CC[6a]2H)(CC[5]O)	C(C[6a]C[6a]2)2(NC)(H)	C(C[5]C[5]N[5]H)(NC)(O)	120.6200	0.000	1	120.6200	0.000	1	120.6200	0.000	1	120.6200	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:3:2:	3:2:1:	C-4:C-3:	C[6a]-3:C[6a]-3:C-3:N-2:	C[5]-3:N-2:H-1:	N(CC[6a]2C)(CC[5]H)	C(C[6a]C[6a]2)2(CCH)(NC)	C(C[5]C[5]N[5])(NC)(H)	N(CC[6a]2C)(CC[5]H)	C(C[6a]C[6a]2)2(CCH)(NC)	C(C[5]C[5]N[5])(NC)(H)	119.4150	0.000	1	119.4150	0.000	1	119.4150	0.000	1	122.2371	3.727	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:3:2:	3:2:1:	C-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(CC[6a]3)(CC[5a]H)	C(C[6a]C[6a]2)3(NC)	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[6a]3)(CC[5a]H)	C(C[6a]C[6a]2)3(NC)	C(C[5a]C[5a]N[5a])(NC)(H)	118.0050	0.000	1	118.0050	0.000	1	118.0050	0.000	1	122.2371	3.727	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:3:2:	3:2:1:	C-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:H-1:	N(CC[6a]3)(CC[6]H)	C(C[6a]C[6a]2)3(NC)	C(C[6]C[6]N[6])(NC)(H)	N(CC[6a]3)(CC[6]H)	C(C[6a]C[6a]2)3(NC)	C(C[6]C[6]N[6])(NC)(H)	121.8770	0.096	2	121.8770	0.009	2	121.8770	0.009	2	122.2371	3.727	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:3:2:	3:2:1:	C-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]3)(CC[6a]H)	C(C[6a]C[6a]2)3(NC)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]3)(CC[6a]H)	C(C[6a]C[6a]2)3(NC)	C(C[6a]C[6a]2)(NC)(H)	124.7010	0.000	1	124.7010	0.000	1	123.3477	0.415	7	122.2371	3.727	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:3:2:	3:2:1:	C-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]3)(CC[6a]H)	C(C[6a]C[6a]2)3(NC)	C(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]3)(CC[6a]H)	C(C[6a]C[6a]2)3(NC)	C(C[6a]C[6a]N[6a])(NC)(H)	123.0772	0.251	4	123.0772	0.063	4	123.3477	0.415	7	122.2371	3.727	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:3:2:	3:2:1:	C-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]3)(CC[6a]H)	C(C[6a]C[6a]N[6a])3(NC)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]3)(CC[6a]H)	C(C[6a]C[6a]N[6a])3(NC)	C(C[6a]C[6a]2)(NC)(H)	123.2120	0.375	2	123.2120	0.140	2	123.3477	0.415	7	122.2371	3.727	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:4:2:	2:2:1:	C-4:C-3:	C[5a]-3:C[6a]-3:C-4:N-2:	N-2:O-2:O-1:	N(CC[5a]C[6a]C)(COO)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CHHO)(NC)	C(NC)(OC)(O)	N(CC[5a]C[6a]C)(COO)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CHHO)(NC)	C(NC)(OC)(O)	125.8280	0.000	1	125.8280	0.000	1	125.8280	0.000	1	124.8850	1.778	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:4:2:	2:2:1:	C-4:C-3:	C[6a]-3:C-3:C-4:N-2:	N-2:O-2:O-1:	N(CC[6a]CC)(COO)	C(C[6a]C[6a]2)(CSiC)(CH3)(NC)	C(NC)(OC)(O)	N(CC[6a]CC)(COO)	C(C[6a]C[6a]2)(CSiC)(CH3)(NC)	C(NC)(OC)(O)	123.9420	0.000	1	123.9420	0.000	1	123.9420	0.000	1	124.8850	1.778	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:3:4:2:	3:2:1:	C-4:C-3:	C[6a]-3:C-3:C-4:N-2:	C[6a]-3:N-2:O-1:	N(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]S)(CH3)(NC)	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]S)(CH3)(NC)	C(C[6a]C[6a]2)(NC)(O)	124.6080	0.000	1	124.6080	0.000	1	124.6080	0.000	1	124.6080	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	2:2:1:	C-4:C-3:	C-3:C-4:N-2:H-1:	N-2:O-2:O-1:	N(CCCH)(COO)	C(CN[5]O)(CCHH)(NC)(H)	C(NC)(OC)(O)	N(CCCH)(COO)	C(CN[5]O)(CCHH)(NC)(H)	C(NC)(OC)(O)	119.8730	0.000	1	119.8730	0.000	1	119.1630	1.008	2	121.3936	3.797	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	2:2:1:	C-4:C-3:	C-3:C-4:N-2:H-1:	N-2:O-2:O-1:	N(CCCH)(COO)	C(CN[5]O)(CHHN)(NC)(H)	C(NC)(OC)(O)	N(CCCH)(COO)	C(CN[5]O)(CHHN)(NC)(H)	C(NC)(OC)(O)	118.4530	0.000	1	118.4530	0.000	1	119.1630	1.008	2	121.3936	3.797	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	2:2:1:	C-4:C-3:	C[5a]-3:C-4:N-2:H-1:	N-2:O-2:O-1:	N(CC[5a]CH)(COO)	C(C[5a]C[5a]O[5a])(CCCH)(NC)(H)	C(NC)(OC)(O)	N(CC[5a]CH)(COO)	C(C[5a]C[5a]O[5a])(CCCH)(NC)(H)	C(NC)(OC)(O)	120.2080	0.000	1	120.2080	0.000	1	120.2080	0.000	1	121.3936	3.797	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	2:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	N-2:N-2:S-1:	N(CC[6a]CH)(CNS)	C(C[6a]C[6a]2)(CCHH)(NC)(H)	C(NC)(NN)(S)	N(CC[6a]CH)(CNS)	C(C[6a]C[6a]2)(CCHH)(NC)(H)	C(NC)(NN)(S)	125.4720	0.000	1	125.4720	0.000	1	125.4720	0.000	1	121.3936	3.797	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	2:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	N-2:O-2:O-1:	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C(NC)(OC)(O)	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C(NC)(OC)(O)	121.5930	0.000	1	121.5930	0.000	1	121.6177	1.437	7	121.3936	3.797	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	2:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	N-2:O-2:O-1:	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCCO)(NC)(H)	C(NC)(OC)(O)	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCCO)(NC)(H)	C(NC)(OC)(O)	122.9650	0.000	1	122.9650	0.000	1	121.6177	1.437	7	121.3936	3.797	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	2:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	N-2:O-2:O-1:	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCHO)(NC)(H)	C(NC)(OC)(O)	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCHO)(NC)(H)	C(NC)(OC)(O)	120.9980	0.000	1	120.9980	0.000	1	121.6177	1.437	7	121.3936	3.797	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	2:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	N-2:O-2:O-1:	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCl2N)(NC)(H)	C(NC)(OC)(O)	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCl2N)(NC)(H)	C(NC)(OC)(O)	119.9650	0.000	1	119.9650	0.000	1	121.6177	1.437	7	121.3936	3.797	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	2:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	N-2:O-2:O-1:	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(NC)(OC)(O)	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(NC)(OC)(O)	121.7580	1.790	2	121.7580	3.206	2	121.6177	1.437	7	121.3936	3.797	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	2:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	N-2:O-2:O-1:	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CHHO)(NC)(H)	C(NC)(OC)(O)	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CHHO)(NC)(H)	C(NC)(OC)(O)	122.2870	0.000	1	122.2870	0.000	1	121.6177	1.437	7	121.3936	3.797	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:2:1:	C-4:C-3:	C[6,6]-3:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6,6]CH)(CC[6a]H)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6,6]CH)(CC[6a]H)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	120.1260	0.000	1	120.1260	0.000	1	120.1260	0.000	1	118.5137	4.938	84	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]CH)(CCH)	C(C[6a]C[6a]2)(CHHO)(NC)(H)	C(CCH)(NC)(H)	N(CC[6a]CH)(CCH)	C(C[6a]C[6a]2)(CHHO)(NC)(H)	C(CCH)(NC)(H)	117.2910	0.000	1	117.2910	0.000	1	117.2910	0.000	1	118.5137	4.938	84	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[5]-3:N-2:O-1:	N(CC[6a]CH)(CC[5]O)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C(C[5]C[5]2)(NC)(O)	N(CC[6a]CH)(CC[5]O)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C(C[5]C[5]2)(NC)(O)	123.3060	0.000	1	123.3060	0.000	1	123.3060	0.000	1	118.5137	4.938	84	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[5a]-3:N-2:H-1:	N(CC[6a]CH)(CC[5a]H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C(C[5a]C[5a]S[5a])(NC)(H)	N(CC[6a]CH)(CC[5a]H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C(C[5a]C[5a]S[5a])(NC)(H)	117.7380	0.205	2	117.7380	0.042	2	116.7135	0.668	10	118.5137	4.938	84	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[5a]-3:N-2:H-1:	N(CC[6a]CH)(CC[5a]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[6a]CH)(CC[5a]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[5a]C[5a]N[5a])(NC)(H)	116.0953	1.122	3	116.0953	1.259	3	116.7135	0.668	10	118.5137	4.938	84	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[5a]-3:N-2:H-1:	N(CC[6a]CH)(CC[5a]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[5a]C[5a]S[5a])(NC)(H)	N(CC[6a]CH)(CC[5a]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[5a]C[5a]S[5a])(NC)(H)	116.6746	0.225	5	116.6746	0.050	5	116.7135	0.668	10	118.5137	4.938	84	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[6,6]-3:N-2:H-1:	N(CC[6a]CH)(CC[6,6]H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6,6]C[4,6,6]C[6,6])(NC)(H)	N(CC[6a]CH)(CC[6,6]H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6,6]C[4,6,6]C[6,6])(NC)(H)	119.2887	0.550	6	119.2887	0.302	6	119.2887	0.302	6	118.5137	4.938	84	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[6]-3:N-2:H-1:	N(CC[6a]CH)(CC[6]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[6]C[6]N[6])(NC)(H)	N(CC[6a]CH)(CC[6]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[6]C[6]N[6])(NC)(H)	115.8080	0.088	2	115.8080	0.008	2	115.8080	0.008	2	118.5137	4.938	84	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	117.1307	0.718	6	117.1307	0.515	6	118.1952	3.628	54	118.5137	4.938	84	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CCHN)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CCHN)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	119.1800	0.515	2	119.1800	0.265	2	118.1952	3.628	54	118.5137	4.938	84	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	119.8220	0.000	1	119.8220	0.000	1	118.1952	3.628	54	118.5137	4.938	84	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	117.3702	1.122	13	117.3702	1.258	13	118.1952	3.628	54	118.5137	4.938	84	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	118.6270	0.738	7	118.6270	0.545	7	118.1952	3.628	54	118.5137	4.938	84	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	118.6149	2.459	25	118.6149	6.047	25	118.1952	3.628	54	118.5137	4.938	84	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(O)	123.0530	2.318	3	123.0530	5.372	3	121.9336	2.702	9	118.5137	4.938	84	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCFF)(NC)(H)	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCFF)(NC)(H)	C(C[6a]C[6a]2)(NC)(O)	119.5010	0.000	1	119.5010	0.000	1	121.9336	2.702	9	118.5137	4.938	84	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(NC)(O)	122.6000	0.000	1	122.6000	0.000	1	121.9336	2.702	9	118.5137	4.938	84	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(O)	121.5355	0.198	4	121.5355	0.039	4	121.9336	2.702	9	118.5137	4.938	84	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:3:2:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-3:N-2:	N(CC[6a]CH)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]O)(NC)	N(CC[6a]CH)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]O)(NC)	119.2670	0.000	1	119.2670	0.000	1	119.2670	0.000	1	120.5412	0.987	5	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:3:2:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]CH)(CC[6a]2)	C(C[6a]C[6a]2)(CC[6a]CH)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]CH)(CC[6a]2)	C(C[6a]C[6a]2)(CC[6a]CH)(NC)(H)	C(C[6a]C[6a]2)2(NC)	120.1060	0.000	1	120.1060	0.000	1	120.8597	0.639	4	120.5412	0.987	5	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:3:2:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]CH)(CC[6a]2)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]CH)(CC[6a]2)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)2(NC)	121.3730	0.865	2	121.3730	0.749	2	120.8597	0.639	4	120.5412	0.987	5	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:3:2:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]CH)(CC[6a]2)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]CH)(CC[6a]2)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	120.5870	0.000	1	120.5870	0.000	1	120.8597	0.639	4	120.5412	0.987	5	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:4:2:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C-3:C-4:N-2:	N(CC[6a]CH)(CCC)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CN[5]C)(CH3)(NC)	N(CC[6a]CH)(CCC)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CN[5]C)(CH3)(NC)	125.2080	0.000	1	125.2080	0.000	1	125.2080	0.000	1	121.9622	4.726	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	3:4:2:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]CH)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)(CC3)(NC)	N(CC[6a]CH)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)(CC3)(NC)	120.8803	0.258	3	120.8803	0.066	3	120.8803	0.066	3	121.9622	4.726	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	4:2:1:	C-4:C-3:	C-3:C-4:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(CCO)	C(CN[5]O)(CCHH)(NC)(H)	C(CC3)(NC)(O)	N(CCCH)(CCO)	C(CN[5]O)(CCHH)(NC)(H)	C(CC3)(NC)(O)	121.9710	0.000	1	121.9710	0.000	1	121.9710	0.000	1	120.9266	6.367	14	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	4:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:O-1:	N(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CC[5a]HH)(NC)(H)	C(CH3)(NC)(O)	N(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CC[5a]HH)(NC)(H)	C(CH3)(NC)(O)	121.3585	1.667	2	121.3585	2.778	2	122.1765	1.880	8	120.9266	6.367	14	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	4:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:O-1:	N(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CCCH)(NC)(O)	N(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CCCH)(NC)(O)	124.8240	0.000	1	124.8240	0.000	1	122.1765	1.880	8	120.9266	6.367	14	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	4:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:O-1:	N(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CCCN)(NC)(O)	N(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CCCN)(NC)(O)	121.5220	0.875	2	121.5220	0.766	2	122.1765	1.880	8	120.9266	6.367	14	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	4:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:O-1:	N(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CCHH)(NC)(O)	N(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CCHH)(NC)(O)	121.9040	0.000	1	121.9040	0.000	1	122.1765	1.880	8	120.9266	6.367	14	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	4:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:O-1:	N(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CHHN)(NC)(O)	N(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CHHN)(NC)(O)	122.7580	0.000	1	122.7580	0.000	1	122.1765	1.880	8	120.9266	6.367	14	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	4:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:O-1:	N(CC[6a]CH)(CCO)	C(C[6a]C[6a]N[6a])(CC3)(NC)(H)	C(CC[5]HH)(NC)(O)	N(CC[6a]CH)(CCO)	C(C[6a]C[6a]N[6a])(CC3)(NC)(H)	C(CC[5]HH)(NC)(O)	122.1650	0.000	1	122.1650	0.000	1	122.1765	1.880	8	120.9266	6.367	14	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	4:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[3]-4:N-2:O-1:	N(CC[6a]CH)(CC[3]O)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[3]C[3]2C)(NC)(O)	N(CC[6a]CH)(CC[3]O)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[3]C[3]2C)(NC)(O)	122.4190	0.000	1	122.4190	0.000	1	122.4190	0.000	1	120.9266	6.367	14	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	4:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[3x4]-4:N-2:O-1:	N(CC[6a]CH)(CC[3x4]O)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[3x4]C[4,4]3)(NC)(O)	N(CC[6a]CH)(CC[3x4]O)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[3x4]C[4,4]3)(NC)(O)	119.6060	0.870	2	119.6060	0.756	2	119.6060	0.756	2	120.9266	6.367	14	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	4:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[4]-4:N-2:H-1:	N(CC[6a]CH)(CC[4]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[4]C[4]N[4]H)(NC)(H)	N(CC[6a]CH)(CC[4]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[4]C[4]N[4]H)(NC)(H)	116.5230	0.000	1	116.5230	0.000	1	116.5230	0.000	1	120.9266	6.367	14	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	4:2:1:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C[5]-4:N-2:H-1:	N(CC[6a]CH)(CC[5]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[5]C[5]2Fe)(NC)(H)	N(CC[6a]CH)(CC[5]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(C[5]C[5]2Fe)(NC)(H)	115.4350	0.000	1	115.4350	0.000	1	115.4350	0.000	1	120.9266	6.367	14	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:2:1:	4:3:2:	C-4:C-3:	C[6a]-3:C-4:N-2:H-1:	C-4:N-3:N-2:	N(CC[6a]CH)(CCN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC3)(NCH)(NC)	N(CC[6a]CH)(CCN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC3)(NCH)(NC)	129.8740	0.000	1	129.8740	0.000	1	129.8740	0.000	1	129.8740	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:4:2:	3:2:1:	C-4:C-3:	C[6a]-3:C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]CC)(CC[6a]H)	C(C[6a]C[6a]2)(CH3)2(NC)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]CC)(CC[6a]H)	C(C[6a]C[6a]2)(CH3)2(NC)	C(C[6a]C[6a]2)(NC)(H)	119.5046	1.782	20	119.5046	3.176	20	119.5046	3.176	20	119.7715	4.513	21	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:4:2:	3:2:1:	C-4:C-3:	C[6a]-3:C-4:C-4:N-2:	N-3:N-2:O-1:	N(CC[6a]CC)(CNO)	C(C[6a]C[6a]2)(CH3)2(NC)	C(NC[6a]H)(NC)(O)	N(CC[6a]CC)(CNO)	C(C[6a]C[6a]2)(CH3)2(NC)	C(NC[6a]H)(NC)(O)	125.1090	0.000	1	125.1090	0.000	1	125.1090	0.000	1	119.7715	4.513	21	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	3:4:4:2:	4:2:1:	C-4:C-3:	C[6a]-3:C-4:C-4:N-2:	C-4:N-2:O-1:	N(CC[6a]CC)(CCO)	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NC)	C(CHHN)(NC)(O)	N(CC[6a]CC)(CCO)	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NC)	C(CHHN)(NC)(O)	124.6310	0.000	1	124.6310	0.000	1	124.6310	0.000	1	124.6310	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	2:1:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-2:H-1:O-1:	N(CCHH)(CHO)	C(CC[6a]HH)(NC)(H)2	C(NC)(H)(O)	N(CCHH)(CHO)	C(CC[6a]HH)(NC)(H)2	C(NC)(H)(O)	120.9120	0.000	1	120.9120	0.000	1	121.3335	0.355	2	121.3335	0.355	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	2:1:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-2:H-1:O-1:	N(CCHH)(CHO)	C(CH3)(NC)(H)2	C(NC)(H)(O)	N(CCHH)(CHO)	C(CH3)(NC)(H)2	C(NC)(H)(O)	121.7550	0.000	1	121.7550	0.000	1	121.3335	0.355	2	121.3335	0.355	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	2:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-2:N-2:O-1:	N(CCHH)(CNO)	C(CCHH)(NC)(H)2	C(NC)(NS)(O)	N(CCHH)(CNO)	C(CCHH)(NC)(H)2	C(NC)(NS)(O)	123.0710	0.000	1	123.0710	0.000	1	121.1120	3.044	3	121.5663	3.447	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	2:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-2:N-2:O-1:	N(CCHH)(CNO)	C(CCHN)(NC)(H)2	C(NC)2(O)	N(CCHH)(CNO)	C(CCHN)(NC)(H)2	C(NC)2(O)	120.1325	0.576	2	120.1325	0.332	2	121.1120	3.044	3	121.5663	3.447	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	2:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-2:N-2:S-1:	N(CCHH)(CNS)	C(CHHS)(NC)(H)2	C(NC)2(S)	N(CCHH)(CNS)	C(CHHS)(NC)(H)2	C(NC)2(S)	124.8450	0.000	1	124.8450	0.000	1	124.8450	0.000	1	121.5663	3.447	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	2:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-2:O-2:O-1:	N(CCHH)(COO)	C(CCHH)(NC)(H)2	C(NC)(OC)(O)	N(CCHH)(COO)	C(CCHH)(NC)(H)2	C(NC)(OC)(O)	119.8430	0.000	1	119.8430	0.000	1	119.8430	0.000	1	121.5663	3.447	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	2:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	O-2:N-2:O-1:	N(CCHH)(COO)	C(CCHH)(NC)(H)2	C(OSi)(NC)(O)	N(CCHH)(COO)	C(CCHH)(NC)(H)2	C(OSi)(NC)(O)	121.4700	0.486	2	121.4700	0.237	2	121.4700	0.237	2	121.5663	3.447	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	2:2:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-2:S-2:S-2:	N(CCHH)(CSS)	C(CCHH)(NC)(H)2	C(NC)(SC)2	N(CCHH)(CSS)	C(CCHH)(NC)(H)2	C(NC)(SC)2	119.2980	0.000	1	119.2980	0.000	1	119.2980	0.000	1	122.5481	2.508	8	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	2:2:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	S-2:N-2:N-2:	N(CCHH)(CNS)	C(CH3)(NC)(H)2	C(SNi)(NC)(NN)	N(CCHH)(CNS)	C(CH3)(NC)(H)2	C(SNi)(NC)(NN)	124.9950	0.000	1	124.9950	0.000	1	123.0917	1.044	6	122.5481	2.508	8	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	2:2:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	S-2:N-2:N-2:	N(CCHH)(CNS)	C(CH3)(NC)(H)2	C(SPd)(NC)(NN)	N(CCHH)(CNS)	C(CH3)(NC)(H)2	C(SPd)(NC)(NN)	122.8020	0.000	1	122.8020	0.000	1	123.0917	1.044	6	122.5481	2.508	8	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	2:2:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	S-2:N-2:N-2:	N(CCHH)(CNS)	C(CH3)(NC)(H)2	C(SPt)(NC)2	N(CCHH)(CNS)	C(CH3)(NC)(H)2	C(SPt)(NC)2	122.1000	0.000	1	122.1000	0.000	1	123.0917	1.044	6	122.5481	2.508	8	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	2:2:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	S-2:N-2:N-2:	N(CCHH)(CNS)	C(CH3)(NC)(H)2	C(SRe)(NC)2	N(CCHH)(CNS)	C(CH3)(NC)(H)2	C(SRe)(NC)2	122.7715	0.568	2	122.7715	0.322	2	123.0917	1.044	6	122.5481	2.508	8	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	2:2:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	S-2:N-2:N-2:	N(CCHH)(CNS)	C(CHHN)(NC)(H)2	C(SCu)(NC)(NN)	N(CCHH)(CNS)	C(CHHN)(NC)(H)2	C(SCu)(NC)(NN)	123.1100	0.000	1	123.1100	0.000	1	123.0917	1.044	6	122.5481	2.508	8	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	2:2:2:	C-4:C-3:	S-4:N-2:H-1:H-1:	S-2:N-2:S-2:	N(CHHS)(CSS)	C(SC[6a]OO)(NC)(H)2	C(SC[6a])(NC)(SH)	N(CHHS)(CSS)	C(SC[6a]OO)(NC)(H)2	C(SC[6a])(NC)(SH)	122.5370	0.000	1	122.5370	0.000	1	122.5370	0.000	1	122.5481	2.508	8	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-3:N-2:H-1:	N(CCHH)(CCH)	C(CHHN)(NC)(H)2	C(CCC)(NC)(H)	N(CCHH)(CCH)	C(CHHN)(NC)(H)2	C(CCC)(NC)(H)	117.3945	0.514	2	117.3945	0.264	2	117.6128	0.368	8	120.1192	7.708	39	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-3:N-2:H-1:	N(CCHH)(CCH)	C(CHHN)(NC)(H)2	C(CCH)(NC)(H)	N(CCHH)(CCH)	C(CHHN)(NC)(H)2	C(CCH)(NC)(H)	116.7330	0.000	1	116.7330	0.000	1	117.6128	0.368	8	120.1192	7.708	39	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-3:N-2:H-1:	N(CCHH)(CCH)	C(CHHN)(NC)(H)2	C(CHN)(NC)(H)	N(CCHH)(CCH)	C(CHHN)(NC)(H)2	C(CHN)(NC)(H)	117.8760	0.523	5	117.8760	0.273	5	117.6128	0.368	8	120.1192	7.708	39	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-3:N-2:O-1:	N(CCHH)(CCO)	C(CCHH)(NC)(H)2	C(CNO)(NC)(O)	N(CCHH)(CCO)	C(CCHH)(NC)(H)2	C(CNO)(NC)(O)	121.0520	0.000	1	121.0520	0.000	1	121.0520	0.000	1	120.1192	7.708	39	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-3:N-2:O-1:	N(CCHH)(CNO)	C(CCHH)(NC)(H)2	C(NHH)(NC)(O)	N(CCHH)(CNO)	C(CCHH)(NC)(H)2	C(NHH)(NC)(O)	123.2280	0.214	2	123.2280	0.046	2	121.4176	2.855	5	120.1192	7.708	39	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-3:N-2:O-1:	N(CCHH)(CNO)	C(CCHN)(NC)(H)2	C(NCH)(NC)(O)	N(CCHH)(CNO)	C(CCHN)(NC)(H)2	C(NCH)(NC)(O)	120.0590	0.000	1	120.0590	0.000	1	121.4176	2.855	5	120.1192	7.708	39	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-3:N-2:O-1:	N(CCHH)(CNO)	C(CHHN)(NC)(H)2	C(NC[6a]H)(NC)(O)	N(CCHH)(CNO)	C(CHHN)(NC)(H)2	C(NC[6a]H)(NC)(O)	120.2865	0.643	2	120.2865	0.413	2	121.4176	2.855	5	120.1192	7.708	39	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-3:N-2:S-1:	N(CCHH)(CNS)	C(CH3)(NC)(H)2	C(NCH)(NC)(S)	N(CCHH)(CNS)	C(CH3)(NC)(H)2	C(NCH)(NC)(S)	127.7300	0.000	1	127.7300	0.000	1	125.3690	2.628	5	120.1192	7.708	39	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-3:N-2:S-1:	N(CCHH)(CNS)	C(CH3)(NC)(H)2	C(NHN)(NC)(S)	N(CCHH)(CNS)	C(CH3)(NC)(H)2	C(NHN)(NC)(S)	124.7357	1.327	3	124.7357	1.762	3	125.3690	2.628	5	120.1192	7.708	39	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-3:N-2:S-1:	N(CCHH)(CNS)	C(CHHN)(NC)(H)2	C(NC[6a]H)(NC)(S)	N(CCHH)(CNS)	C(CHHN)(NC)(H)2	C(NC[6a]H)(NC)(S)	124.9080	0.000	1	124.9080	0.000	1	125.3690	2.628	5	120.1192	7.708	39	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	P-3:N-2:O-1:	N(CCHH)(COP)	C(CClHH)(NC)(H)2	C(PC[6a]2)(NC)(O)	N(CCHH)(COP)	C(CClHH)(NC)(H)2	C(PC[6a]2)(NC)(O)	121.5760	0.000	1	121.5760	0.000	1	121.5760	0.000	1	120.1192	7.708	39	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:1:	C-4:C-3:	C[5]-4:N-2:H-1:H-1:	C[5a]-3:N-2:H-1:	N(CC[5]HH)(CC[5a]H)	C(C[5]C[5]O[5]H)(NC)(H)2	C(C[5a]C[5a]S[5a])(NC)(H)	N(CC[5]HH)(CC[5a]H)	C(C[5]C[5]O[5]H)(NC)(H)2	C(C[5a]C[5a]S[5a])(NC)(H)	117.0355	0.213	2	117.0355	0.045	2	117.0355	0.045	2	120.1192	7.708	39	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:1:	C-4:C-3:	C[5]-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[5]HH)(CC[6a]H)	C(C[5]C[5]O[5]H)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[5]HH)(CC[6a]H)	C(C[5]C[5]O[5]H)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	120.0070	1.291	2	120.0070	1.667	2	120.0070	1.667	2	120.1192	7.708	39	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:1:	C-4:C-3:	C[5]-4:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:	N(CC[5]HH)(CC[6a]O)	C(C[5]C[5]2Co)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(O)	N(CC[5]HH)(CC[6a]O)	C(C[5]C[5]2Co)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(O)	120.3840	0.000	1	120.3840	0.000	1	120.3840	0.000	1	120.1192	7.708	39	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:1:	C-4:C-3:	C[6]-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6]HH)(CC[6a]H)	C(C[6]C[6,6]C[6]C)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6]HH)(CC[6a]H)	C(C[6]C[6,6]C[6]C)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	120.4802	2.704	5	120.4802	7.313	5	119.4797	3.259	14	120.1192	7.708	39	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:1:	C-4:C-3:	C[6]-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6]HH)(CC[6a]H)	C(C[6]C[6,6]C[6]C)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6]HH)(CC[6a]H)	C(C[6]C[6,6]C[6]C)(NC)(H)2	C(C[6a]C[6a]N[6a])(NC)(H)	119.5830	0.000	1	119.5830	0.000	1	119.4797	3.259	14	120.1192	7.708	39	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:1:	C-4:C-3:	C[6]-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6]HH)(CC[6a]H)	C(C[6]C[6]2C)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6]HH)(CC[6a]H)	C(C[6]C[6]2C)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	118.9003	1.087	3	118.9003	1.181	3	119.4797	3.259	14	120.1192	7.708	39	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:1:	C-4:C-3:	C[6]-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6]HH)(CC[6a]H)	C(C[6]C[6]2H)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6]HH)(CC[6a]H)	C(C[6]C[6]2H)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	118.8650	1.090	3	118.8650	1.189	3	119.4797	3.259	14	120.1192	7.708	39	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:1:	C-4:C-3:	C[6]-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6]HH)(CC[6a]H)	C(C[6]C[6]2O)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	N(CC[6]HH)(CC[6a]H)	C(C[6]C[6]2O)(NC)(H)2	C(C[6a]C[6a]2)(NC)(H)	118.7180	0.235	2	118.7180	0.055	2	119.4797	3.259	14	120.1192	7.708	39	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-3:N-2:N-2:	N(CCHH)(CNN)	C(CCHH)(NC)(H)2	C(NHH)(NC)(NN)	N(CCHH)(CNN)	C(CCHH)(NC)(H)2	C(NHH)(NC)(NN)	126.7390	0.000	1	126.7390	0.000	1	126.7390	0.000	1	125.4747	1.566	3	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-3:S-2:N-2:	N(CCHH)(CNS)	C(CH3)(NC)(H)2	C(NCH)(SCu)(NC)	N(CCHH)(CNS)	C(CH3)(NC)(H)2	C(NCH)(SCu)(NC)	125.4480	0.000	1	125.4480	0.000	1	124.8425	0.733	2	125.4747	1.566	3	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:2:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-3:S-2:N-2:	N(CCHH)(CNS)	C(CH3)(NC)(H)2	C(NHN)(SCu)(NC)	N(CCHH)(CNS)	C(CH3)(NC)(H)2	C(NHN)(SCu)(NC)	124.2370	0.000	1	124.2370	0.000	1	124.8425	0.733	2	125.4747	1.566	3	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:3:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-3:C-3:N-2:	N(CCHH)(CCC)	C(CCHH)(NC)(H)2	C(CCH)(CHH)(NC)	N(CCHH)(CCC)	C(CCHH)(NC)(H)2	C(CCH)(CHH)(NC)	129.7080	0.000	1	129.7080	0.000	1	129.7080	0.000	1	124.4227	19.760	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:3:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-3:C-3:N-2:	N(CCHH)(CCN)	C(CCHH)(NC)(H)2	C(NPdO)(CNN)(NC)	N(CCHH)(CCN)	C(CCHH)(NC)(H)2	C(NPdO)(CNN)(NC)	126.9140	0.000	1	126.9140	0.000	1	126.9140	0.000	1	124.4227	19.760	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:3:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-3:N-3:N-2:	N(CCHH)(CNN)	C(CCHH)(NC)(H)2	C(NHH)2(NC)	N(CCHH)(CNN)	C(CCHH)(NC)(H)2	C(NHH)2(NC)	124.9940	0.000	1	124.9940	0.000	1	122.4785	16.514	4	124.4227	19.760	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:3:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-3:N-3:N-2:	N(CCHH)(CNN)	C(CC[6a]HH)(NC)(H)2	C(NCH)(NHH)(NC)	N(CCHH)(CNN)	C(CC[6a]HH)(NC)(H)2	C(NCH)(NHH)(NC)	126.7920	0.000	1	126.7920	0.000	1	122.4785	16.514	4	124.4227	19.760	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:3:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-3:N-3:N-2:	N(CCHH)(CNN)	C(CHHN)(NC)(H)2	C(NCC)2(NC)	N(CCHH)(CNN)	C(CHHN)(NC)(H)2	C(NCC)2(NC)	119.8670	0.000	1	119.8670	0.000	1	122.4785	16.514	4	124.4227	19.760	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	3:3:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-3:N-3:N-2:	N(CCHH)(CNN)	C(CHHS)(NC)(H)2	C(NCC)2(NC)	N(CCHH)(CNN)	C(CHHS)(NC)(H)2	C(NCC)2(NC)	118.2610	0.000	1	118.2610	0.000	1	122.4785	16.514	4	124.4227	19.760	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:	N(CCHH)(CCH)	C(CHHN)(NC)(H)2	C(CCCS)(NC)(H)	N(CCHH)(CCH)	C(CHHN)(NC)(H)2	C(CCCS)(NC)(H)	116.7495	0.166	2	116.7495	0.028	2	117.6453	2.421	3	121.5485	5.800	25	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:	N(CCHH)(CCH)	C(CN3)(NC)(H)2	C(CN3)(NC)(H)	N(CCHH)(CCH)	C(CN3)(NC)(H)2	C(CN3)(NC)(H)	119.4370	0.000	1	119.4370	0.000	1	117.6453	2.421	3	121.5485	5.800	25	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:N-2:O-1:	N(CCHH)(CCO)	C(CCHH)(NC)(H)2	C(CHHN)(NC)(O)	N(CCHH)(CCO)	C(CCHH)(NC)(H)2	C(CHHN)(NC)(O)	123.0520	0.000	1	123.0520	0.000	1	122.5574	2.895	16	121.5485	5.800	25	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:N-2:O-1:	N(CCHH)(CCO)	C(CCHO)(NC)(H)2	C(CCHH)(NC)(O)	N(CCHH)(CCO)	C(CCHO)(NC)(H)2	C(CCHH)(NC)(O)	122.0220	0.038	3	122.0220	0.001	3	122.5574	2.895	16	121.5485	5.800	25	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:N-2:O-1:	N(CCHH)(CCO)	C(CC[5a]HH)(NC)(H)2	C(CH3)(NC)(O)	N(CCHH)(CCO)	C(CC[5a]HH)(NC)(H)2	C(CH3)(NC)(O)	125.6660	0.000	1	125.6660	0.000	1	122.5574	2.895	16	121.5485	5.800	25	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:N-2:O-1:	N(CCHH)(CCO)	C(CC[6a]HH)(NC)(H)2	C(CC[6a]CH)(NC)(O)	N(CCHH)(CCO)	C(CC[6a]HH)(NC)(H)2	C(CC[6a]CH)(NC)(O)	123.4920	0.000	1	123.4920	0.000	1	122.5574	2.895	16	121.5485	5.800	25	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:N-2:O-1:	N(CCHH)(CCO)	C(CC[6a]HH)(NC)(H)2	C(CHHN)(NC)(O)	N(CCHH)(CCO)	C(CC[6a]HH)(NC)(H)2	C(CHHN)(NC)(O)	123.2740	0.000	1	123.2740	0.000	1	122.5574	2.895	16	121.5485	5.800	25	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:N-2:O-1:	N(CCHH)(CCO)	C(CH3)(NC)(H)2	C(CCHH)(NC)(O)	N(CCHH)(CCO)	C(CH3)(NC)(H)2	C(CCHH)(NC)(O)	125.3400	0.000	1	125.3400	0.000	1	122.5574	2.895	16	121.5485	5.800	25	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:N-2:O-1:	N(CCHH)(CCO)	C(CH3)(NC)(H)2	C(CC[5]HH)(NC)(O)	N(CCHH)(CCO)	C(CH3)(NC)(H)2	C(CC[5]HH)(NC)(O)	119.5710	0.000	1	119.5710	0.000	1	122.5574	2.895	16	121.5485	5.800	25	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:N-2:O-1:	N(CCHH)(CCO)	C(CHHN)(NC)(H)2	C(CCFH)(NC)(O)	N(CCHH)(CCO)	C(CHHN)(NC)(H)2	C(CCFH)(NC)(O)	120.7850	0.178	2	120.7850	0.032	2	122.5574	2.895	16	121.5485	5.800	25	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:N-2:O-1:	N(CCHH)(CCO)	C(CHHN)(NC)(H)2	C(CCHN)(NC)(O)	N(CCHH)(CCO)	C(CHHN)(NC)(H)2	C(CCHN)(NC)(O)	123.4165	0.021	2	123.4165	0.000	2	122.5574	2.895	16	121.5485	5.800	25	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:N-2:O-1:	N(CCHH)(CCO)	C(CHHN)(NC)(H)2	C(CHHO)(NC)(O)	N(CCHH)(CCO)	C(CHHN)(NC)(H)2	C(CHHO)(NC)(O)	120.0850	0.000	1	120.0850	0.000	1	122.5574	2.895	16	121.5485	5.800	25	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:N-2:O-1:	N(CCHH)(CCO)	C(CHHO)(NC)(H)2	C(CHHO)(NC)(O)	N(CCHH)(CCO)	C(CHHO)(NC)(H)2	C(CHHO)(NC)(O)	123.3980	0.000	1	123.3980	0.000	1	122.5574	2.895	16	121.5485	5.800	25	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:N-2:O-1:	N(CCHH)(CCO)	C(CHHO)(NC)(H)2	C(CHHP)(NC)(O)	N(CCHH)(CCO)	C(CHHO)(NC)(H)2	C(CHHP)(NC)(O)	122.5710	0.000	1	122.5710	0.000	1	122.5574	2.895	16	121.5485	5.800	25	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:2:1:	C-4:C-3:	C-4:N-2:H-1:H-1:	N-4:N-2:O-1:	N(CCHH)(CNO)	C(CCHN)(NC)(H)2	C(NCHH)(NC)(O)	N(CCHH)(CNO)	C(CCHN)(NC)(H)2	C(NCHH)(NC)(O)	118.9590	0.000	1	118.9590	0.000	1	118.9590	0.000	1	121.5485	5.800	25	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:2:1:	C-4:C-3:	C[5]-4:N-2:H-1:H-1:	C[5]-4:N-2:H-1:	N(CC[5]HH)(CC[5]H)	C(C[5]C[5]2Fe)(NC)(H)2	C(C[5]C[5]2Fe)(NC)(H)	N(CC[5]HH)(CC[5]H)	C(C[5]C[5]2Fe)(NC)(H)2	C(C[5]C[5]2Fe)(NC)(H)	117.4870	0.000	1	117.4870	0.000	1	117.4870	0.000	1	121.5485	5.800	25	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:2:1:	C-4:C-3:	S-4:N-2:H-1:H-1:	C-4:N-2:O-1:	N(CHHS)(CCO)	C(SC[6a]OO)(NC)(H)2	C(CCHH)(NC)(O)	N(CHHS)(CCO)	C(SC[6a]OO)(NC)(H)2	C(CCHH)(NC)(O)	122.1033	1.225	4	122.1033	1.501	4	122.1033	1.501	4	121.5485	5.800	25	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:3:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:C-3:N-2:	N(CCHH)(CCC)	C(CC[6a]HH)(NC)(H)2	C(CH3)(CCC)(NC)	N(CCHH)(CCC)	C(CC[6a]HH)(NC)(H)2	C(CH3)(CCC)(NC)	127.8930	0.000	1	127.8930	0.000	1	124.1317	35.431	3	122.6730	17.243	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:3:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:C-3:N-2:	N(CCHH)(CCC)	C(CHHN)(NC)(H)2	C(CH3)(CCH)(NC)	N(CCHH)(CCC)	C(CHHN)(NC)(H)2	C(CH3)(CCH)(NC)	127.2330	0.000	1	127.2330	0.000	1	124.1317	35.431	3	122.6730	17.243	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:3:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:C-3:N-2:	N(CCHH)(CCC)	C(CHHN)(NC)(H)2	C(CH3)(CCN)(NC)	N(CCHH)(CCC)	C(CHHN)(NC)(H)2	C(CH3)(CCN)(NC)	117.2690	0.000	1	117.2690	0.000	1	124.1317	35.431	3	122.6730	17.243	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:3:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:N-3:N-2:	N(CCHH)(CCN)	C(CH3)(NC)(H)2	C(CN[5]2H)(NMgC)(NC)	N(CCHH)(CCN)	C(CH3)(NC)(H)2	C(CN[5]2H)(NMgC)(NC)	122.0645	0.384	2	122.0645	0.147	2	122.0645	0.147	2	122.6730	17.243	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:3:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	P-4:S-3:N-2:	N(CCHH)(CPS)	C(CH3)(NC)(H)2	C(PC[6a]2N)(SRu2)(NC)	N(CCHH)(CPS)	C(CH3)(NC)(H)2	C(PC[6a]2N)(SRu2)(NC)	121.0935	4.509	2	121.0935	20.333	2	121.0935	20.333	2	122.6730	17.243	7	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:4:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:C-4:N-2:	N(CCHH)(CCC)	C(CCHH)(NC)(H)2	C(CCHH)(CH3)(NC)	N(CCHH)(CCC)	C(CCHH)(NC)(H)2	C(CCHH)(CH3)(NC)	122.0090	0.000	1	122.0090	0.000	1	121.3742	4.419	6	121.3742	4.419	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:4:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:C-4:N-2:	N(CCHH)(CCC)	C(CHHN)(NC)(H)2	C(CCCH)(CC3)(NC)	N(CCHH)(CCC)	C(CHHN)(NC)(H)2	C(CCCH)(CC3)(NC)	125.3320	0.000	1	125.3320	0.000	1	121.3742	4.419	6	121.3742	4.419	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:1:1:	4:4:2:	C-4:C-3:	C-4:N-2:H-1:H-1:	C-4:C-4:N-2:	N(CCHH)(CCC)	C(CHHN)(NC)(H)2	C(CCHH)(CH3)(NC)	N(CCHH)(CCC)	C(CHHN)(NC)(H)2	C(CCHH)(CH3)(NC)	120.2260	0.501	4	120.2260	0.251	4	121.3742	4.419	6	121.3742	4.419	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:2:1:	2:1:1:	C-4:C-3:	C-4:N-2:O-2:H-1:	N-2:H-1:O-1:	N(CCHO)(CHO)	C(CCl3)(NC)(OH)(H)	C(NC)(H)(O)	N(CCHO)(CHO)	C(CCl3)(NC)(OH)(H)	C(NC)(H)(O)	122.8380	0.000	1	122.8380	0.000	1	122.8380	0.000	1	122.8380	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:2:2:1:	3:2:1:	C-4:C-3:	C[3x6]-4:C-2:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[3x6]CH)(CC[6a]H)	C(C[3x6]C[6,6]3)(CN)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[3x6]CH)(CC[6a]H)	C(C[3x6]C[6,6]3)(CN)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	115.8770	0.000	1	115.8770	0.000	1	115.8770	0.000	1	115.8770	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	2:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	N-2:N-2:S-1:	N(CCCH)(CNS)	C(CH3)(CHH)(NC)(H)	C(NC)2(S)	N(CCCH)(CNS)	C(CH3)(CHH)(NC)(H)	C(NC)2(S)	125.9040	0.000	1	125.9040	0.000	1	125.9040	0.000	1	120.8517	7.560	9	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	2:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	N-2:O-2:O-1:	N(CCCH)(COO)	C(CBrHH)(COO)(NC)(H)	C(NC)(OC)(O)	N(CCCH)(COO)	C(CBrHH)(COO)(NC)(H)	C(NC)(OC)(O)	118.2710	0.000	1	118.2710	0.000	1	120.2201	4.538	8	120.8517	7.560	9	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	2:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	N-2:O-2:O-1:	N(CCCH)(COO)	C(CCHH)(CNO)(NC)(H)	C(NC)(OC)(O)	N(CCCH)(COO)	C(CCHH)(CNO)(NC)(H)	C(NC)(OC)(O)	120.3770	0.000	1	120.3770	0.000	1	120.2201	4.538	8	120.8517	7.560	9	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	2:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	N-2:O-2:O-1:	N(CCCH)(COO)	C(CC[5]HH)(COO)(NC)(H)	C(NC)(OC)(O)	N(CCCH)(COO)	C(CC[5]HH)(COO)(NC)(H)	C(NC)(OC)(O)	116.3870	0.000	1	116.3870	0.000	1	120.2201	4.538	8	120.8517	7.560	9	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	2:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	N-2:O-2:O-1:	N(CCCH)(COO)	C(CC[6a]HH)(CNO)(NC)(H)	C(NC)(OC)(O)	N(CCCH)(COO)	C(CC[6a]HH)(CNO)(NC)(H)	C(NC)(OC)(O)	122.7040	0.000	1	122.7040	0.000	1	120.2201	4.538	8	120.8517	7.560	9	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	2:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	N-2:O-2:O-1:	N(CCCH)(COO)	C(CC[6a]HH)(COO)(NC)(H)	C(NC)(OC)(O)	N(CCCH)(COO)	C(CC[6a]HH)(COO)(NC)(H)	C(NC)(OC)(O)	121.7005	1.561	2	121.7005	2.435	2	120.2201	4.538	8	120.8517	7.560	9	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	2:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	N-2:O-2:O-1:	N(CCCH)(COO)	C(CH3)(CNO)(NC)(H)	C(NC)(OC)(O)	N(CCCH)(COO)	C(CH3)(CNO)(NC)(H)	C(NC)(OC)(O)	120.6610	0.000	1	120.6610	0.000	1	120.2201	4.538	8	120.8517	7.560	9	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	2:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	N-2:O-2:O-1:	N(CCCH)(COO)	C(CH3)(COO)(NC)(H)	C(NC)(OC)(O)	N(CCCH)(COO)	C(CH3)(COO)(NC)(H)	C(NC)(OC)(O)	119.9600	0.000	1	119.9600	0.000	1	120.2201	4.538	8	120.8517	7.560	9	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	2:2:2:	C-4:C-3:	P-4:C-3:N-2:H-1:	N-2:O-2:O-2:	N(CCHP)(COO)	C(PC[6a]2O)(CCC)(NC)(H)	C(NC)(OC)(OH)	N(CCHP)(COO)	C(PC[6a]2O)(CCC)(NC)(H)	C(NC)(OC)(OH)	118.9920	0.000	1	118.9920	0.000	1	118.9920	0.000	1	118.9920	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	3:2:1:	C-4:C-3:	C[6,6]-4:C[6a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6,6]C[6a]H)(CC[6a]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6,6]C[6a]H)(CC[6a]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	118.1500	0.000	1	118.1500	0.000	1	118.1500	0.000	1	118.1500	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	3:3:2:	C-4:C-3:	C[3]-4:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[3]CH)(CC[6a]2)	C(C[3]C[3]N[3]H)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[3]CH)(CC[6a]2)	C(C[3]C[3]N[3]H)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	120.0144	1.239	5	120.0144	1.536	5	120.0144	1.536	5	120.4050	1.489	9	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	3:3:2:	C-4:C-3:	C[5]-4:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[5]CH)(CC[6a]2)	C(C[5]C[5,6a]C[5]N)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[5]CH)(CC[6a]2)	C(C[5]C[5,6a]C[5]N)(COO)(NC)(H)	C(C[6a]C[6a]2)2(NC)	119.9810	0.472	2	119.9810	0.223	2	119.9810	0.223	2	120.4050	1.489	9	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	3:3:2:	C-4:C-3:	C[5]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]C[5]H)(CC[6a]2)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]C[5]H)(CC[6a]2)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC)(H)	C(C[6a]C[6a]2)2(NC)	121.3080	0.000	1	121.3080	0.000	1	121.3080	0.000	1	120.4050	1.489	9	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	3:3:2:	C-4:C-3:	C[6]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]C[6]H)(CC[6a]2)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]C[6]H)(CC[6a]2)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NC)(H)	C(C[6a]C[6a]2)2(NC)	122.3030	0.000	1	122.3030	0.000	1	122.3030	0.000	1	120.4050	1.489	9	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	4:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(CCO)	C(CC3)(CNO)(NC)(H)	C(CCHN)(NC)(O)	N(CCCH)(CCO)	C(CC3)(CNO)(NC)(H)	C(CCHN)(NC)(O)	123.3500	0.000	1	123.3500	0.000	1	122.4019	2.396	18	122.3783	2.273	19	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	4:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(CCO)	C(CCCH)(CCH)(NC)(H)	C(CCHO)(NC)(O)	N(CCCH)(CCO)	C(CCCH)(CCH)(NC)(H)	C(CCHO)(NC)(O)	123.9050	0.000	1	123.9050	0.000	1	122.4019	2.396	18	122.3783	2.273	19	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	4:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(CCO)	C(CCCH)(CNO)(NC)(H)	C(CH3)(NC)(O)	N(CCCH)(CCO)	C(CCCH)(CNO)(NC)(H)	C(CH3)(NC)(O)	120.7610	0.000	1	120.7610	0.000	1	122.4019	2.396	18	122.3783	2.273	19	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	4:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(CCO)	C(CCCH)(COO)(NC)(H)	C(CCCN)(NC)(O)	N(CCCH)(CCO)	C(CCCH)(COO)(NC)(H)	C(CCCN)(NC)(O)	122.8620	0.000	1	122.8620	0.000	1	122.4019	2.396	18	122.3783	2.273	19	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	4:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(CCO)	C(CCCH)(COO)(NC)(H)	C(CCHN)(NC)(O)	N(CCCH)(CCO)	C(CCCH)(COO)(NC)(H)	C(CCHN)(NC)(O)	123.7273	1.399	3	123.7273	1.958	3	122.4019	2.396	18	122.3783	2.273	19	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	4:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(CCO)	C(CCCO)(COO)(NC)(H)	C(CCHN)(NC)(O)	N(CCCH)(CCO)	C(CCCO)(COO)(NC)(H)	C(CCHN)(NC)(O)	123.3150	0.000	1	123.3150	0.000	1	122.4019	2.396	18	122.3783	2.273	19	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	4:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(CCO)	C(CC[6a]HH)(CNO)(NC)(H)	C(CCHN)(NC)(O)	N(CCCH)(CCO)	C(CC[6a]HH)(CNO)(NC)(H)	C(CCHN)(NC)(O)	120.2285	0.012	2	120.2285	0.000	2	122.4019	2.396	18	122.3783	2.273	19	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	4:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(CCO)	C(CC[6a]HH)(CNO)(NC)(H)	C(CHHN)(NC)(O)	N(CCCH)(CCO)	C(CC[6a]HH)(CNO)(NC)(H)	C(CHHN)(NC)(O)	123.1180	0.000	1	123.1180	0.000	1	122.4019	2.396	18	122.3783	2.273	19	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	4:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(CCO)	C(CC[6a]HH)(CN[5]O)(NC)(H)	C(CCHH)(NC)(O)	N(CCCH)(CCO)	C(CC[6a]HH)(CN[5]O)(NC)(H)	C(CCHH)(NC)(O)	122.6650	0.000	1	122.6650	0.000	1	122.4019	2.396	18	122.3783	2.273	19	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	4:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(CCO)	C(CC[6a]HH)(COO)(NC)(H)	C(CCHN)(NC)(O)	N(CCCH)(CCO)	C(CC[6a]HH)(COO)(NC)(H)	C(CCHN)(NC)(O)	123.1730	0.000	1	123.1730	0.000	1	122.4019	2.396	18	122.3783	2.273	19	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	4:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(CCO)	C(CH3)(CNO)(NC)(H)	C(CCHN)(NC)(O)	N(CCCH)(CCO)	C(CH3)(CNO)(NC)(H)	C(CCHN)(NC)(O)	119.6720	0.000	1	119.6720	0.000	1	122.4019	2.396	18	122.3783	2.273	19	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	4:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(CCO)	C(CH3)(COO)(NC)(H)	C(CCHH)(NC)(O)	N(CCCH)(CCO)	C(CH3)(COO)(NC)(H)	C(CCHH)(NC)(O)	120.4030	0.000	1	120.4030	0.000	1	122.4019	2.396	18	122.3783	2.273	19	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	4:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(CCO)	C(CH3)(COO)(NC)(H)	C(CCHN)(NC)(O)	N(CCCH)(CCO)	C(CH3)(COO)(NC)(H)	C(CCHN)(NC)(O)	122.2540	0.000	1	122.2540	0.000	1	122.4019	2.396	18	122.3783	2.273	19	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	4:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(CCO)	C(CHHO)(CNO)(NC)(H)	C(CCHN)(NC)(O)	N(CCCH)(CCO)	C(CHHO)(CNO)(NC)(H)	C(CCHN)(NC)(O)	122.1400	0.000	1	122.1400	0.000	1	122.4019	2.396	18	122.3783	2.273	19	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	4:2:1:	C-4:C-3:	C-4:C-3:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(CCO)	C(CHHS)(CNO)(NC)(H)	C(CCHN)(NC)(O)	N(CCCH)(CCO)	C(CHHS)(CNO)(NC)(H)	C(CCHN)(NC)(O)	123.9780	0.000	1	123.9780	0.000	1	122.4019	2.396	18	122.3783	2.273	19	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:3:2:1:	4:2:1:	C-4:C-3:	C[6]-4:C-3:N-2:H-1:	C-4:N-2:O-1:	N(CC[6]CH)(CCO)	C(C[6]C[6,6a]C[6]O)(COO)(NC)(H)	C(CH3)(NC)(O)	N(CC[6]CH)(CCO)	C(C[6]C[6,6a]C[6]O)(COO)(NC)(H)	C(CH3)(NC)(O)	121.9530	0.000	1	121.9530	0.000	1	121.9530	0.000	1	122.3783	2.273	19	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	2:2:1:	C-4:C-3:	C-4:C-4:N-2:H-1:	N-2:N-2:O-1:	N(CCCH)(CNO)	C(CC[6a]HH)(CHHN)(NC)(H)	C(NC)2(O)	N(CCCH)(CNO)	C(CC[6a]HH)(CHHN)(NC)(H)	C(NC)2(O)	123.0280	0.000	1	123.0280	0.000	1	123.0280	0.000	1	123.3630	10.097	5	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	2:2:1:	C-4:C-3:	C-4:C-4:N-2:H-1:	N-2:N-2:S-1:	N(CCCH)(CNS)	C(CH3)2(NC)(H)	C(NC)2(S)	N(CCCH)(CNS)	C(CH3)2(NC)(H)	C(NC)2(S)	127.8280	0.000	1	127.8280	0.000	1	127.8280	0.000	1	123.3630	10.097	5	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	2:2:1:	C-4:C-3:	C-4:C-4:N-2:H-1:	N-2:O-2:O-1:	N(CCCH)(COO)	C(CCCH)(CCHO)(NC)(H)	C(NC)(OC)(O)	N(CCCH)(COO)	C(CCCH)(CCHO)(NC)(H)	C(NC)(OC)(O)	124.9420	0.000	1	124.9420	0.000	1	121.9863	7.327	3	123.3630	10.097	5	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	2:2:1:	C-4:C-3:	C-4:C-4:N-2:H-1:	N-2:O-2:O-1:	N(CCCH)(COO)	C(CCCH)2(NC)(H)	C(NC)(OC)(O)	N(CCCH)(COO)	C(CCCH)2(NC)(H)	C(NC)(OC)(O)	121.3890	0.000	1	121.3890	0.000	1	121.9863	7.327	3	123.3630	10.097	5	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	2:2:1:	C-4:C-3:	C-4:C-4:N-2:H-1:	N-2:O-2:O-1:	N(CCCH)(COO)	C(CC[5]HO)(CCHH)(NC)(H)	C(NC)(OC)(O)	N(CCCH)(COO)	C(CC[5]HO)(CCHH)(NC)(H)	C(NC)(OC)(O)	119.6280	0.000	1	119.6280	0.000	1	121.9863	7.327	3	123.3630	10.097	5	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	2:2:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	S-2:N-2:N-2:	N(CCCH)(CNS)	C(CH3)2(NC)(H)	C(SCu)(NC)(NN)	N(CCCH)(CNS)	C(CH3)2(NC)(H)	C(SCu)(NC)(NN)	125.2430	0.000	1	125.2430	0.000	1	125.2430	0.000	1	125.2430	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:2:1:	C-4:C-3:	C-4:C-4:N-2:H-1:	C-3:N-2:H-1:	N(CCCH)(CCH)	C(CC[6a]ClH)(CH3)(NC)(H)	C(CHN)(NC)(H)	N(CCCH)(CCH)	C(CC[6a]ClH)(CH3)(NC)(H)	C(CHN)(NC)(H)	118.3690	0.272	2	118.3690	0.074	2	118.1823	0.166	4	118.6414	3.752	16	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:2:1:	C-4:C-3:	C-4:C-4:N-2:H-1:	C-3:N-2:H-1:	N(CCCH)(CCH)	C(CClHH)(CCHH)(NC)(H)	C(CHN)(NC)(H)	N(CCCH)(CCH)	C(CClHH)(CCHH)(NC)(H)	C(CHN)(NC)(H)	117.9955	0.534	2	117.9955	0.285	2	118.1823	0.166	4	118.6414	3.752	16	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:2:1:	C-4:C-3:	C-4:C-4:N-2:H-1:	N-3:N-2:H-1:	N(CCCH)(CHN)	C(CH3)2(NC)(H)	C(NCH)(NC)(H)	N(CCCH)(CHN)	C(CH3)2(NC)(H)	C(NCH)(NC)(H)	114.6400	0.000	1	114.6400	0.000	1	114.6400	0.000	1	118.6414	3.752	16	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:2:1:	C-4:C-3:	C-4:C-4:N-2:H-1:	N-3:N-2:O-1:	N(CCCH)(CNO)	C(CCHH)(CHHN)(NC)(H)	C(NCH)(NC)(O)	N(CCCH)(CNO)	C(CCHH)(CHHN)(NC)(H)	C(NCH)(NC)(O)	122.3570	0.000	1	122.3570	0.000	1	122.3570	0.000	1	118.6414	3.752	16	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:2:1:	C-4:C-3:	C[3x6]-4:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[3x6]CH)(CC[6a]H)	C(C[3x6]C[6,6]3)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[3x6]CH)(CC[6a]H)	C(C[3x6]C[6,6]3)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	119.3544	1.578	5	119.3544	2.490	5	119.3544	2.490	5	118.6414	3.752	16	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:2:1:	C-4:C-3:	C[6]-4:C-4:N-2:H-1:	C-3:N-2:O-1:	N(CC[6]CH)(CCO)	C(C[6]C[6]N[6]O)(CH3)(NC)(H)	C(CCH)(NC)(O)	N(CC[6]CH)(CCO)	C(C[6]C[6]N[6]O)(CH3)(NC)(H)	C(CCH)(NC)(O)	116.2800	0.000	1	116.2800	0.000	1	116.2800	0.000	1	118.6414	3.752	16	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:2:1:	C-4:C-3:	C[6]-4:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6]CH)(CC[6a]H)	C(C[6]C[6]2H)(CC[6]HN)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6]CH)(CC[6a]H)	C(C[6]C[6]2H)(CC[6]HN)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	119.9225	0.240	2	119.9225	0.057	2	118.8710	2.279	4	118.6414	3.752	16	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:2:1:	C-4:C-3:	C[6]-4:C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6]CH)(CC[6a]H)	C(C[6]C[6]2H)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6]CH)(CC[6a]H)	C(C[6]C[6]2H)(CH3)(NC)(H)	C(C[6a]C[6a]2)(NC)(H)	117.8195	1.535	2	117.8195	2.357	2	118.8710	2.279	4	118.6414	3.752	16	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:2:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	N-3:C-2:N-2:	N(CCCH)(CCN)	C(CH3)2(NC)(H)	C(NCH)(CC)(NC)	N(CCCH)(CCN)	C(CH3)2(NC)(H)	C(NCH)(CC)(NC)	118.1140	0.000	1	118.1140	0.000	1	118.1140	0.000	1	121.0555	17.305	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:2:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	N-3:N-2:O-2:	N(CCCH)(CNO)	C(CH3)2(NC)(H)	C(NPdC)(NC)(OC)	N(CCCH)(CNO)	C(CH3)2(NC)(H)	C(NPdC)(NC)(OC)	123.9970	0.000	1	123.9970	0.000	1	123.9970	0.000	1	121.0555	17.305	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:3:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	C-3:N-3:N-2:	N(CCCH)(CCN)	C(CH3)2(NC)(H)	C(CFeC)(NCH)(NC)	N(CCCH)(CCN)	C(CH3)2(NC)(H)	C(CFeC)(NCH)(NC)	126.3230	0.000	1	126.3230	0.000	1	126.3230	0.000	1	122.3016	3.746	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:3:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	N-3:N-3:N-2:	N(CCCH)(CNN)	C(CH3)2(NC)(H)	C(NCC)(NCH)(NC)	N(CCCH)(CNN)	C(CH3)2(NC)(H)	C(NCC)(NCH)(NC)	121.0700	0.000	1	121.0700	0.000	1	122.2763	3.033	6	122.3016	3.746	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:3:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	N-3:N-3:N-2:	N(CCCH)(CNN)	C(CH3)2(NC)(H)	C(NCH)2(NC)	N(CCCH)(CNN)	C(CH3)2(NC)(H)	C(NCH)2(NC)	123.6960	0.000	1	123.6960	0.000	1	122.2763	3.033	6	122.3016	3.746	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:3:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	N-3:N-3:N-2:	N(CCCH)(CNN)	C(CH3)2(NC)(H)	C(NC[6a]N)(NCH)(NC)	N(CCCH)(CNN)	C(CH3)2(NC)(H)	C(NC[6a]N)(NCH)(NC)	119.4470	0.000	1	119.4470	0.000	1	122.2763	3.033	6	122.3016	3.746	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:3:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	N-3:N-3:N-2:	N(CCCH)(CNN)	C(CH3)2(NC)(H)	C(NGaC)(NCC)(NC)	N(CCCH)(CNN)	C(CH3)2(NC)(H)	C(NGaC)(NCC)(NC)	122.8820	0.990	2	122.8820	0.980	2	122.2763	3.033	6	122.3016	3.746	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:3:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	N-3:N-3:N-2:	N(CCCH)(CNN)	C(CH3)2(NC)(H)	C(NSi2)(NSiC)(NC)	N(CCCH)(CNN)	C(CH3)2(NC)(H)	C(NSi2)(NSiC)(NC)	123.6810	0.000	1	123.6810	0.000	1	122.2763	3.033	6	122.3016	3.746	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:3:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	P-3:N-3:N-2:	N(CCCH)(CNP)	C(CH3)2(NC)(H)	C(PC[6]2)(NCH)(NC)	N(CCCH)(CNP)	C(CH3)2(NC)(H)	C(PC[6]2)(NCH)(NC)	121.8930	0.000	1	121.8930	0.000	1	121.3342	0.793	4	122.3016	3.746	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:3:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	P-3:N-3:N-2:	N(CCCH)(CNP)	C(CH3)2(NC)(H)	C(PC[6a]2)(NB[5]C)(NC)	N(CCCH)(CNP)	C(CH3)2(NC)(H)	C(PC[6a]2)(NB[5]C)(NC)	122.0050	0.000	1	122.0050	0.000	1	121.3342	0.793	4	122.3016	3.746	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:3:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	P-3:N-3:N-2:	N(CCCH)(CNP)	C(CH3)2(NC)(H)	C(PC[6a]C)(NCH)(NC)	N(CCCH)(CNP)	C(CH3)2(NC)(H)	C(PC[6a]C)(NCH)(NC)	120.7195	0.928	2	120.7195	0.862	2	121.3342	0.793	4	122.3016	3.746	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	3:4:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	N-3:C-4:N-2:	N(CCCH)(CCN)	C(CH3)2(NC)(H)	C(NSiC)(CH3)(NC)	N(CCCH)(CCN)	C(CH3)2(NC)(H)	C(NSiC)(CH3)(NC)	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	4:2:1:	C-4:C-3:	C-4:C-4:N-2:H-1:	C-4:N-2:H-1:	N(CCCH)(CCH)	C(CH3)2(NC)(H)	C(CC[6a]2C)(NC)(H)	N(CCCH)(CCH)	C(CH3)2(NC)(H)	C(CC[6a]2C)(NC)(H)	117.4280	0.000	1	117.4280	0.000	1	117.4280	0.000	1	121.0484	7.928	5	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	4:2:1:	C-4:C-3:	C-4:C-4:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(CCO)	C(CH3)2(NC)(H)	C(CCHO)(NC)(O)	N(CCCH)(CCO)	C(CH3)2(NC)(H)	C(CCHO)(NC)(O)	124.3670	0.000	1	124.3670	0.000	1	123.6350	1.072	2	121.0484	7.928	5	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	4:2:1:	C-4:C-3:	C-4:C-4:N-2:H-1:	C-4:N-2:O-1:	N(CCCH)(CCO)	C(CH3)2(NC)(H)	C(CHPP)(NC)(O)	N(CCCH)(CCO)	C(CH3)2(NC)(H)	C(CHPP)(NC)(O)	122.9030	0.000	1	122.9030	0.000	1	123.6350	1.072	2	121.0484	7.928	5	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	4:2:1:	C-4:C-3:	C-4:P-4:N-2:H-1:	C-4:N-2:O-1:	N(CCHP)(CCO)	C(CCl3)(PO3)(NC)(H)	C(CN[5]CH)(NC)(O)	N(CCHP)(CCO)	C(CCl3)(PO3)(NC)(H)	C(CN[5]CH)(NC)(O)	121.4860	0.000	1	121.4860	0.000	1	121.4860	0.000	1	121.0484	7.928	5	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	4:2:1:	C-4:C-3:	C[3x6]-4:C-4:N-2:H-1:	C[3]-4:N-2:H-1:	N(CC[3x6]CH)(CC[3]H)	C(C[3x6]C[6,6]3)(CC[4]HH)(NC)(H)	C(C[3]C[3,4]2H)(NC)(H)	N(CC[3x6]CH)(CC[3]H)	C(C[3x6]C[6,6]3)(CC[4]HH)(NC)(H)	C(C[3]C[3,4]2H)(NC)(H)	119.0580	0.000	1	119.0580	0.000	1	119.0580	0.000	1	121.0484	7.928	5	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	4:2:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	P-4:N-2:N-2:	N(CCCH)(CNP)	C(CH3)2(NC)(H)	C(PC[6a]2Pt)(NC)2	N(CCCH)(CNP)	C(CH3)2(NC)(H)	C(PC[6a]2Pt)(NC)2	122.3730	0.703	4	122.3730	0.494	4	122.3730	0.494	4	122.3730	0.494	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	4:3:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	C-4:C-3:N-2:	N(CCCH)(CCC)	C(CH3)2(NC)(H)	C(CH3)(CHS)(NC)	N(CCCH)(CCC)	C(CH3)2(NC)(H)	C(CH3)(CHS)(NC)	125.3060	0.000	1	125.3060	0.000	1	125.3060	0.000	1	123.0831	4.542	10	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	4:3:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	C-4:N-3:N-2:	N(CCCH)(CCN)	C(CH3)2(NC)(H)	C(CCHH)(NCC)(NC)	N(CCCH)(CCN)	C(CH3)2(NC)(H)	C(CCHH)(NCC)(NC)	120.4710	0.000	1	120.4710	0.000	1	121.9770	4.536	2	123.0831	4.542	10	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	4:3:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	C-4:N-3:N-2:	N(CCCH)(CCN)	C(CH3)2(NC)(H)	C(CN[5]2H)(NMgC)(NC)	N(CCCH)(CCN)	C(CH3)2(NC)(H)	C(CN[5]2H)(NMgC)(NC)	123.4830	0.000	1	123.4830	0.000	1	121.9770	4.536	2	123.0831	4.542	10	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	4:3:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	P-4:N-3:N-2:	N(CCCH)(CNP)	C(CH3)2(NC)(H)	C(PC[6]2Co)(NCoC)(NC)	N(CCCH)(CNP)	C(CH3)2(NC)(H)	C(PC[6]2Co)(NCoC)(NC)	120.3090	0.000	1	120.3090	0.000	1	123.0816	4.825	7	123.0831	4.542	10	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	4:3:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	P-4:N-3:N-2:	N(CCCH)(CNP)	C(CH3)2(NC)(H)	C(PC[6]2Pt)(NCH)(NC)	N(CCCH)(CNP)	C(CH3)2(NC)(H)	C(PC[6]2Pt)(NCH)(NC)	125.1105	0.596	2	125.1105	0.355	2	123.0816	4.825	7	123.0831	4.542	10	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	4:3:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	P-4:N-3:N-2:	N(CCCH)(CNP)	C(CH3)2(NC)(H)	C(PC[6]2S)(NCH)(NC)	N(CCCH)(CNP)	C(CH3)2(NC)(H)	C(PC[6]2S)(NCH)(NC)	124.6080	0.000	1	124.6080	0.000	1	123.0816	4.825	7	123.0831	4.542	10	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	4:3:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	P-4:N-3:N-2:	N(CCCH)(CNP)	C(CH3)2(NC)(H)	C(PC[6]2Se)(NCH)(NC)	N(CCCH)(CNP)	C(CH3)2(NC)(H)	C(PC[6]2Se)(NCH)(NC)	124.0230	0.000	1	124.0230	0.000	1	123.0816	4.825	7	123.0831	4.542	10	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	4:3:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	P-4:N-3:N-2:	N(CCCH)(CNP)	C(CH3)2(NC)(H)	C(PC[6a]2Cu)(NCH)(NC)	N(CCCH)(CNP)	C(CH3)2(NC)(H)	C(PC[6a]2Cu)(NCH)(NC)	121.2050	1.554	2	121.2050	2.416	2	123.0816	4.825	7	123.0831	4.542	10	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	4:4:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	C-4:C-4:N-2:	N(CCCH)(CCC)	C(CH3)2(NC)(H)	C(CN[5]HH)(CC3)(NC)	N(CCCH)(CCC)	C(CH3)2(NC)(H)	C(CN[5]HH)(CC3)(NC)	121.7260	0.000	1	121.7260	0.000	1	121.7260	0.000	1	121.7260	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:1:	5:3:2:	C-4:C-3:	C-4:C-4:N-2:H-1:	C-5:N-3:N-2:	N(CCCH)(CCN)	C(CH3)2(NC)(H)	C(CAlCCN)(NAlC)(NC)	N(CCCH)(CCN)	C(CH3)2(NC)(H)	C(CAlCCN)(NAlC)(NC)	130.2500	0.000	1	130.2500	0.000	1	130.2500	0.000	1	130.2500	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:2:	2:4:2:	C-4:C-3:	C-4:C-4:C-2:N-2:	O-2:C-4:N-2:	N(CC3)(CCO)	C(CH3)2(CN)(NC)	C(ON[6])(CCCH)(NC)	N(CC3)(CCO)	C(CH3)2(CN)(NC)	C(ON[6])(CCCH)(NC)	123.2070	0.000	1	123.2070	0.000	1	123.2070	0.000	1	123.2070	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:2:2:	3:2:1:	C-4:C-3:	C[6]-4:C-4:C-2:N-2:	C[6a]-3:N-2:H-1:	N(CC[6]CC)(CC[6a]H)	C(C[6]C[6]2H)(CC[5a]HH)(CN)(NC)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6]CC)(CC[6a]H)	C(C[6]C[6]2H)(CC[5a]HH)(CN)(NC)	C(C[6a]C[6a]2)(NC)(H)	121.1400	0.000	1	121.1400	0.000	1	121.1400	0.000	1	121.1400	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:3:2:	2:2:1:	C-4:C-3:	C-4:C-4:C-3:N-2:	N-2:O-2:O-1:	N(CC3)(COO)	C(CH3)2(CNO)(NC)	C(NC)(OC)(O)	N(CC3)(COO)	C(CH3)2(CNO)(NC)	C(NC)(OC)(O)	124.4680	0.000	1	124.4680	0.000	1	124.4680	0.000	1	124.4680	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:3:2:	4:2:1:	C-4:C-3:	C-4:C-4:C-3:N-2:	C-4:N-2:O-1:	N(CC3)(CCO)	C(CH3)2(CNO)(NC)	C(CCCN)(NC)(O)	N(CC3)(CCO)	C(CH3)2(CNO)(NC)	C(CCCN)(NC)(O)	122.4830	0.000	1	122.4830	0.000	1	122.2648	0.142	4	122.2648	0.142	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:3:2:	4:2:1:	C-4:C-3:	C-4:C-4:C-3:N-2:	C-4:N-2:O-1:	N(CC3)(CCO)	C(CH3)2(COO)(NC)	C(CCCN)(NC)(O)	N(CC3)(CCO)	C(CH3)2(COO)(NC)	C(CCCN)(NC)(O)	122.3580	0.000	1	122.3580	0.000	1	122.2648	0.142	4	122.2648	0.142	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:3:2:	4:2:1:	C-4:C-3:	C-4:C-4:C-3:N-2:	C-4:N-2:O-1:	N(CC3)(CCO)	C(CH3)2(COO)(NC)	C(CHHN)(NC)(O)	N(CC3)(CCO)	C(CH3)2(COO)(NC)	C(CHHN)(NC)(O)	122.5090	0.000	1	122.5090	0.000	1	122.2648	0.142	4	122.2648	0.142	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:3:2:	4:2:1:	C-4:C-3:	C-4:C-4:C-3:N-2:	C-4:N-2:O-1:	N(CC3)(CCO)	C(CSiHH)(CH3)(COO)(NC)	C(CCHN)(NC)(O)	N(CC3)(CCO)	C(CSiHH)(CH3)(COO)(NC)	C(CCHN)(NC)(O)	121.7090	0.000	1	121.7090	0.000	1	122.2648	0.142	4	122.2648	0.142	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:4:2:	2:2:1:	C-4:C-3:	C-4:C-4:C-4:N-2:	O-2:N-2:H-1:	N(CC3)(CHO)	C(CH3)3(NC)	C(ONb[6])(NC)(H)	N(CC3)(CHO)	C(CH3)3(NC)	C(ONb[6])(NC)(H)	120.7410	0.000	1	120.7410	0.000	1	120.7410	0.000	1	120.7410	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:4:2:	2:2:2:	C-4:C-3:	C-4:C-4:C-4:N-2:	S-2:N-2:N-2:	N(CC3)(CNS)	C(CH3)3(NC)	C(SCu)(NC)(NP)	N(CC3)(CNS)	C(CH3)3(NC)	C(SCu)(NC)(NP)	129.6990	0.000	1	129.6990	0.000	1	129.6990	0.000	1	129.6990	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:4:2:	2:4:2:	C-4:C-3:	C-4:C-4:C-4:N-2:	N-2:C-4:N-2:	N(CC3)(CCN)	C(CH3)3(NC)	C(NC[5a])(CH3)(NC)	N(CC3)(CCN)	C(CH3)3(NC)	C(NC[5a])(CH3)(NC)	128.5840	0.000	1	128.5840	0.000	1	128.5840	0.000	1	128.5840	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:4:2:	3:2:1:	C-4:C-3:	C-4:C-4:C-4:N-2:	C-3:N-2:H-1:	N(CC3)(CCH)	C(CH3)3(NC)	C(CHN)(NC)(H)	N(CC3)(CCH)	C(CH3)3(NC)	C(CHN)(NC)(H)	122.8240	1.242	4	122.8240	1.543	4	122.8240	1.543	4	122.8622	6.371	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:4:2:	3:2:1:	C-4:C-3:	C-4:C-4:C-4:N-2:	N-3:N-2:H-1:	N(CC3)(CHN)	C(CH3)3(NC)	C(NB[5]C)(NC)(H)	N(CC3)(CHN)	C(CH3)3(NC)	C(NB[5]C)(NC)(H)	120.1060	0.000	1	120.1060	0.000	1	120.1060	0.000	1	122.8622	6.371	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:4:2:	3:2:1:	C-4:C-3:	C-4:C-4:C-4:N-2:	N-3:N-2:O-1:	N(CC3)(CNO)	C(CH3)3(NC)	C(NCoC)(NC)(O)	N(CC3)(CNO)	C(CH3)3(NC)	C(NCoC)(NC)(O)	125.2975	1.166	4	125.2975	1.359	4	125.2975	1.359	4	122.8622	6.371	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:4:2:	3:2:1:	C-4:C-3:	C[5]-4:C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[5]CC)(CC[6a]H)	C(C[5]C[5]2H)(CF3)(CH3)(NC)	C(C[6a]C[6a]2)(NC)(H)	N(CC[5]CC)(CC[6a]H)	C(C[5]C[5]2H)(CF3)(CH3)(NC)	C(C[6a]C[6a]2)(NC)(H)	119.4460	0.584	2	119.4460	0.341	2	119.4460	0.341	2	122.8622	6.371	11	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:4:2:	3:2:2:	C-4:C-3:	C-4:C-4:C-4:N-2:	N-3:O-2:N-2:	N(CC3)(CNO)	C(CH3)3(NC)	C(NCC)(OAl)(NC)	N(CC3)(CNO)	C(CH3)3(NC)	C(NCC)(OAl)(NC)	121.6600	0.000	1	121.6600	0.000	1	121.6600	0.000	1	121.6600	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:4:2:	3:3:2:	C-4:C-3:	C-4:C-4:C-4:N-2:	B-3:B-3:N-2:	N(CC3)(CBB)	C(CH3)3(NC)	C(BC[5]N)2(NC)	N(CC3)(CBB)	C(CH3)3(NC)	C(BC[5]N)2(NC)	123.9360	0.000	1	123.9360	0.000	1	123.9360	0.000	1	125.6035	2.952	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:4:2:	3:3:2:	C-4:C-3:	C-4:C-4:C-4:N-2:	C-3:C-3:N-2:	N(CC3)(CCC)	C(CH3)3(NC)	C(CCH)(CCN)(NC)	N(CC3)(CCC)	C(CH3)3(NC)	C(CCH)(CCN)(NC)	127.0850	0.085	2	127.0850	0.007	2	127.0850	0.007	2	125.6035	2.952	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:4:2:	3:3:2:	C-4:C-3:	C-4:C-4:C-4:N-2:	S-3:S-3:N-2:	N(CC3)(CSS)	C(CH3)3(NC)	C(SMnMo)2(NC)	N(CC3)(CSS)	C(CH3)3(NC)	C(SMnMo)2(NC)	124.3080	0.000	1	124.3080	0.000	1	124.3080	0.000	1	125.6035	2.952	4	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:4:2:	3:4:2:	C-4:C-3:	C[6]-4:C-4:C-4:N-2:	N-3:C-4:N-2:	N(CC[6]CC)(CCN)	C(C[6]C[6]2H)(CH3)2(NC)	C(NC[6]S)(CH3)(NC)	N(CC[6]CC)(CCN)	C(C[6]C[6]2H)(CH3)2(NC)	C(NC[6]S)(CH3)(NC)	125.2730	0.000	1	125.2730	0.000	1	125.2730	0.000	1	125.2730	0.000	1	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:4:2:	4:2:1:	C-4:C-3:	C-4:C-4:C-4:N-2:	C-4:N-2:H-1:	N(CC3)(CCH)	C(CH3)3(NC)	C(CCoCH)(NC)(H)	N(CC3)(CCH)	C(CH3)3(NC)	C(CCoCH)(NC)(H)	121.6155	0.101	2	121.6155	0.010	2	121.1690	0.473	4	123.2953	11.157	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:4:2:	4:2:1:	C-4:C-3:	C-4:C-4:C-4:N-2:	C-4:N-2:H-1:	N(CC3)(CCH)	C(CH3)3(NC)	C(CIrCH)(NC)(H)	N(CC3)(CCH)	C(CH3)3(NC)	C(CIrCH)(NC)(H)	121.2760	0.000	1	121.2760	0.000	1	121.1690	0.473	4	123.2953	11.157	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:4:2:	4:2:1:	C-4:C-3:	C-4:C-4:C-4:N-2:	C-4:N-2:H-1:	N(CC3)(CCH)	C(CH3)3(NC)	C(CRhCH)(NC)(H)	N(CC3)(CCH)	C(CH3)3(NC)	C(CRhCH)(NC)(H)	120.1690	0.000	1	120.1690	0.000	1	121.1690	0.473	4	123.2953	11.157	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:4:2:	4:2:1:	C-4:C-3:	C-4:C-4:C-4:N-2:	C-4:N-2:O-1:	N(CC3)(CCO)	C(CH3)3(NC)	C(CC[6]HH)(NC)(O)	N(CC3)(CCO)	C(CH3)3(NC)	C(CC[6]HH)(NC)(O)	127.3160	0.000	1	127.3160	0.000	1	127.5480	0.108	2	123.2953	11.157	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:4:2:	4:2:1:	C-4:C-3:	C-4:C-4:C-4:N-2:	C-4:N-2:O-1:	N(CC3)(CCO)	C(CH3)3(NC)	C(CN[5]HH)(NC)(O)	N(CC3)(CCO)	C(CH3)3(NC)	C(CN[5]HH)(NC)(O)	127.7800	0.000	1	127.7800	0.000	1	127.5480	0.108	2	123.2953	11.157	6	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:4:2:	4:3:2:	C-4:C-3:	C-4:C-4:C-4:N-2:	C-4:C-3:N-2:	N(CC3)(CCC)	C(CH3)3(NC)	C(CC[5]HH)(CHfN)(NC)	N(CC3)(CCC)	C(CH3)3(NC)	C(CC[5]HH)(CHfN)(NC)	124.0170	0.000	1	124.0170	0.000	1	124.0170	0.000	1	127.0140	17.964	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	930	0:SP2_SP2_SP3	N	C	C	4:3:	4:4:4:2:	4:3:2:	C-4:C-3:	C-4:C-4:C-4:N-2:	C-4:N-3:N-2:	N(CC3)(CCN)	C(CH3)3(NC)	C(CN[5]2H)(NMgC)(NC)	N(CC3)(CCN)	C(CH3)3(NC)	C(CN[5]2H)(NMgC)(NC)	130.0110	0.000	1	130.0110	0.000	1	130.0110	0.000	1	127.0140	17.964	2	120.2319	14.717	1332	120.2319	14.717	1332
941	490	941	0:SP2_SP2_SP3	N	C	N	2:4:	4:4:2:1:	3:2:	N-2:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:	N(NC[6a])(CCCH)	C(CC[6a]HH)(CCHH)(NN)(H)	N(C[6a]C[6a]2)(NC)	N(NC[6a])(CCCH)	C(CC[6a]HH)(CCHH)(NN)(H)	N(C[6a]C[6a]2)(NC)	113.0820	0.000	1	113.0820	0.000	1	113.0820	0.000	1	113.0820	0.000	1	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	2:4:	4:4:3:2:	3:2:	N-2:C-4:	C-4:C-4:C-3:N-2:	C[6a]-3:N-2:	N(NC[6a])(CC3)	C(CH3)2(COO)(NN)	N(C[6a]C[6a]2)(NC)	N(NC[6a])(CC3)	C(CH3)2(COO)(NN)	N(C[6a]C[6a]2)(NC)	113.0388	1.310	6	113.0388	1.716	6	113.0388	1.716	6	112.8813	1.603	7	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	2:4:	4:4:3:2:	3:2:	N-2:C-4:	C-4:C-4:N-3:N-2:	C[6a]-3:N-2:	N(NC[6a])(CCCN)	C(CH3)2(NOO)(NN)	N(C[6a]C[6a]2)(NC)	N(NC[6a])(CCCN)	C(CH3)2(NOO)(NN)	N(C[6a]C[6a]2)(NC)	111.9360	0.000	1	111.9360	0.000	1	111.9360	0.000	1	112.8813	1.603	7	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:2:1:1:	2:1:	C-4:N-2:	C-3:N-2:H-1:H-1:	N-2:N-1:	N(CCHH)(NN)	C(CCH)(NN)(H)2	N(NC)(N)	N(CCHH)(NN)	C(CCH)(NN)(H)2	N(NC)(N)	114.2653	1.217	4	114.2653	1.481	4	114.7283	1.567	26	114.9449	2.089	38	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:2:1:1:	2:1:	C-4:N-2:	C-3:N-2:H-1:H-1:	N-2:N-1:	N(CCHH)(NN)	C(CCI)(NN)(H)2	N(NC)(N)	N(CCHH)(NN)	C(CCI)(NN)(H)2	N(NC)(N)	114.0072	0.843	4	114.0072	0.710	4	114.7283	1.567	26	114.9449	2.089	38	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:2:1:1:	2:1:	C-4:N-2:	C-3:N-2:H-1:H-1:	N-2:N-1:	N(CCHH)(NN)	C(CC[5]H)(NN)(H)2	N(NC)(N)	N(CCHH)(NN)	C(CC[5]H)(NN)(H)2	N(NC)(N)	115.0280	0.000	1	115.0280	0.000	1	114.7283	1.567	26	114.9449	2.089	38	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:2:1:1:	2:1:	C-4:N-2:	C-3:N-2:H-1:H-1:	N-2:N-1:	N(CCHH)(NN)	C(CC[6a]O)(NN)(H)2	N(NC)(N)	N(CCHH)(NN)	C(CC[6a]O)(NN)(H)2	N(NC)(N)	115.5615	0.614	10	115.5615	0.377	10	114.7283	1.567	26	114.9449	2.089	38	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:2:1:1:	2:1:	C-4:N-2:	C-3:N-2:H-1:H-1:	N-2:N-1:	N(CCHH)(NN)	C(CNO)(NN)(H)2	N(NC)(N)	N(CCHH)(NN)	C(CNO)(NN)(H)2	N(NC)(N)	114.8983	0.731	3	114.8983	0.534	3	114.7283	1.567	26	114.9449	2.089	38	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:2:1:1:	2:1:	C-4:N-2:	C-3:N-2:H-1:H-1:	N-2:N-1:	N(CCHH)(NN)	C(CN[6]O)(NN)(H)2	N(NC)(N)	N(CCHH)(NN)	C(CN[6]O)(NN)(H)2	N(NC)(N)	116.6420	0.000	1	116.6420	0.000	1	114.7283	1.567	26	114.9449	2.089	38	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:2:1:1:	2:1:	C-4:N-2:	C-3:N-2:H-1:H-1:	N-2:N-1:	N(CCHH)(NN)	C(COO)(NN)(H)2	N(NC)(N)	N(CCHH)(NN)	C(COO)(NN)(H)2	N(NC)(N)	112.6220	0.742	3	112.6220	0.550	3	114.7283	1.567	26	114.9449	2.089	38	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:2:1:1:	2:1:	C-4:N-2:	C[5a]-3:N-2:H-1:H-1:	N-2:N-1:	N(CC[5a]HH)(NN)	C(C[5a]C[5a]N[5a])(NN)(H)2	N(NC)(N)	N(CC[5a]HH)(NN)	C(C[5a]C[5a]N[5a])(NN)(H)2	N(NC)(N)	118.0940	0.000	1	118.0940	0.000	1	116.2280	4.585	4	114.9449	2.089	38	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:2:1:1:	2:1:	C-4:N-2:	C[5a]-3:N-2:H-1:H-1:	N-2:N-1:	N(CC[5a]HH)(NN)	C(C[5a]C[5a]O[5a])(NN)(H)2	N(NC)(N)	N(CC[5a]HH)(NN)	C(C[5a]C[5a]O[5a])(NN)(H)2	N(NC)(N)	116.7500	1.123	2	116.7500	1.261	2	116.2280	4.585	4	114.9449	2.089	38	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:2:1:1:	2:1:	C-4:N-2:	C[5a]-3:N-2:H-1:H-1:	N-2:N-1:	N(CC[5a]HH)(NN)	C(C[5a]N[5a]O[5a])(NN)(H)2	N(NC)(N)	N(CC[5a]HH)(NN)	C(C[5a]N[5a]O[5a])(NN)(H)2	N(NC)(N)	113.3180	0.000	1	113.3180	0.000	1	116.2280	4.585	4	114.9449	2.089	38	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:2:1:1:	2:1:	C-4:N-2:	C[6]-3:N-2:H-1:H-1:	N-2:N-1:	N(CC[6]HH)(NN)	C(C[6]C[6]N[6])(NN)(H)2	N(NC)(N)	N(CC[6]HH)(NN)	C(C[6]C[6]N[6])(NN)(H)2	N(NC)(N)	115.3560	0.000	1	115.3560	0.000	1	115.3560	0.000	1	114.9449	2.089	38	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:2:1:1:	2:1:	C-4:N-2:	C[6a]-3:N-2:H-1:H-1:	N-2:N-1:	N(CC[6a]HH)(NN)	C(C[6a]C[6a,6a]2)(NN)(H)2	N(NC)(N)	N(CC[6a]HH)(NN)	C(C[6a]C[6a,6a]2)(NN)(H)2	N(NC)(N)	116.9530	0.000	1	116.9530	0.000	1	114.9574	2.734	7	114.9449	2.089	38	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:2:1:1:	2:1:	C-4:N-2:	C[6a]-3:N-2:H-1:H-1:	N-2:N-1:	N(CC[6a]HH)(NN)	C(C[6a]C[6a,6a]C[6a])(NN)(H)2	N(NC)(N)	N(CC[6a]HH)(NN)	C(C[6a]C[6a,6a]C[6a])(NN)(H)2	N(NC)(N)	115.7435	0.999	2	115.7435	0.998	2	114.9574	2.734	7	114.9449	2.089	38	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:2:1:1:	2:1:	C-4:N-2:	C[6a]-3:N-2:H-1:H-1:	N-2:N-1:	N(CC[6a]HH)(NN)	C(C[6a]C[6a]2)(NN)(H)2	N(NC)(N)	N(CC[6a]HH)(NN)	C(C[6a]C[6a]2)(NN)(H)2	N(NC)(N)	114.0655	1.528	4	114.0655	2.335	4	114.9574	2.734	7	114.9449	2.089	38	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:2:1:1:	3:2:	C-4:N-2:	C[6a]-3:N-2:H-1:H-1:	C-3:N-2:	N(CC[6a]HH)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)2	N(CCO)(NC)	N(CC[6a]HH)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)2	N(CCO)(NC)	116.3780	0.000	1	116.3780	0.000	1	116.3780	0.000	1	116.3780	0.000	1	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:2:2:1:	2:1:	C-4:N-2:	C[6a]-3:N-2:N-2:H-1:	N-2:N-1:	N(CC[6a]HN)(NN)	C(C[6a]C[6a]2)(NN)2(H)	N(NC)(N)	N(CC[6a]HN)(NN)	C(C[6a]C[6a]2)(NN)2(H)	N(NC)(N)	112.8860	0.981	4	112.8860	0.963	4	112.8860	0.963	4	112.8860	0.963	4	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:3:2:1:	2:1:	C-4:N-2:	C[5a]-3:C[6a]-3:N-2:H-1:	N-2:N-1:	N(CC[5a]C[6a]H)(NN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NN)(H)	N(NC)(N)	N(CC[5a]C[6a]H)(NN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NN)(H)	N(NC)(N)	115.9040	0.000	1	115.9040	0.000	1	115.9040	0.000	1	115.2660	0.814	2	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:3:2:1:	2:1:	C-4:N-2:	C[6a]-3:C-3:N-2:H-1:	N-2:N-1:	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CC[6a]O)(NN)(H)	N(NC)(N)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CC[6a]O)(NN)(H)	N(NC)(N)	114.6280	0.000	1	114.6280	0.000	1	114.6280	0.000	1	115.2660	0.814	2	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:3:2:2:	2:1:	C-4:N-2:	C-3:C-3:N-2:N-2:	N-2:N-1:	N(CCCN)(NN)	C(CC[6a]O)(COO)(NN)2	N(NC)(N)	N(CCCN)(NN)	C(CC[6a]O)(COO)(NN)2	N(NC)(N)	114.4200	0.373	2	114.4200	0.139	2	114.4200	0.139	2	114.4200	0.139	2	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:2:1:	2:1:	C-4:N-2:	C-3:C-4:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CC[4]H)(CCHH)(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CC[4]H)(CCHH)(NN)(H)	N(NC)(N)	113.3090	0.000	1	113.3090	0.000	1	116.0057	7.978	6	115.1129	4.912	19	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:2:1:	2:1:	C-4:N-2:	C-3:C-4:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CC[6a]O)(CCCH)(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CC[6a]O)(CCCH)(NN)(H)	N(NC)(N)	115.9920	0.000	1	115.9920	0.000	1	116.0057	7.978	6	115.1129	4.912	19	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:2:1:	2:1:	C-4:N-2:	C-3:C-4:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CN[5]O)(CC3)(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CN[5]O)(CC3)(NN)(H)	N(NC)(N)	119.6000	0.000	1	119.6000	0.000	1	116.0057	7.978	6	115.1129	4.912	19	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:2:1:	2:1:	C-4:N-2:	C-3:C-4:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CN[5]O)(CCCO)(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CN[5]O)(CCCO)(NN)(H)	N(NC)(N)	114.3240	2.810	2	114.3240	7.896	2	116.0057	7.978	6	115.1129	4.912	19	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:2:1:	2:1:	C-4:N-2:	C-3:C-4:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CN[5]O)(CCHH)(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CN[5]O)(CCHH)(NN)(H)	N(NC)(N)	118.4850	0.000	1	118.4850	0.000	1	116.0057	7.978	6	115.1129	4.912	19	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:2:1:	2:1:	C-4:N-2:	C[5a]-3:C[6]-4:N-2:H-1:	N-2:N-1:	N(CC[5a]C[6]H)(NN)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(NN)(H)	N(NC)(N)	N(CC[5a]C[6]H)(NN)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(NN)(H)	N(NC)(N)	113.6830	0.000	1	113.6830	0.000	1	113.6830	0.000	1	115.1129	4.912	19	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:2:1:	2:1:	C-4:N-2:	C[6a]-3:C-4:N-2:H-1:	N-2:N-1:	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CBrCH)(NN)(H)	N(NC)(N)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CBrCH)(NN)(H)	N(NC)(N)	116.4250	0.000	1	116.4250	0.000	1	114.7857	3.674	12	115.1129	4.912	19	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:2:1:	2:1:	C-4:N-2:	C[6a]-3:C-4:N-2:H-1:	N-2:N-1:	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CCCH)(NN)(H)	N(NC)(N)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CCCH)(NN)(H)	N(NC)(N)	114.5675	0.046	2	114.5675	0.002	2	114.7857	3.674	12	115.1129	4.912	19	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:2:1:	2:1:	C-4:N-2:	C[6a]-3:C-4:N-2:H-1:	N-2:N-1:	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CCHH)(NN)(H)	N(NC)(N)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CCHH)(NN)(H)	N(NC)(N)	114.2470	0.763	3	114.2470	0.583	3	114.7857	3.674	12	115.1129	4.912	19	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:2:1:	2:1:	C-4:N-2:	C[6a]-3:C-4:N-2:H-1:	N-2:N-1:	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	N(NC)(N)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	N(NC)(N)	115.4820	3.722	3	115.4820	13.855	3	114.7857	3.674	12	115.1129	4.912	19	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:2:1:	2:1:	C-4:N-2:	C[6a]-3:C-4:N-2:H-1:	N-2:N-1:	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CC[5a]HO)(NN)(H)	N(NC)(N)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CC[5a]HO)(NN)(H)	N(NC)(N)	112.3160	0.000	1	112.3160	0.000	1	114.7857	3.674	12	115.1129	4.912	19	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:2:1:	2:1:	C-4:N-2:	C[6a]-3:C-4:N-2:H-1:	N-2:N-1:	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	N(NC)(N)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	N(NC)(N)	115.0950	0.000	1	115.0950	0.000	1	114.7857	3.674	12	115.1129	4.912	19	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:2:1:	2:1:	C-4:N-2:	C[6a]-3:C-4:N-2:H-1:	N-2:N-1:	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)(H)	N(NC)(N)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)(H)	N(NC)(N)	115.2700	0.000	1	115.2700	0.000	1	114.7857	3.674	12	115.1129	4.912	19	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:2:1:	3:2:	C-4:N-2:	C[6a]-3:C-4:N-2:H-1:	C-3:N-2:	N(CC[6a]CH)(NC)	C(C[6a]C[6a]2)(CH3)(NN)(H)	N(CCC)(NC)	N(CC[6a]CH)(NC)	C(C[6a]C[6a]2)(CH3)(NN)(H)	N(CCC)(NC)	118.2360	0.000	1	118.2360	0.000	1	118.2360	0.000	1	113.9447	13.905	3	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:2:1:	3:2:	C-4:N-2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N-2:	N(CC[6a]CH)(NC[6a])	C(C[6a]C[6a]2)(CC[6a]CH)(NN)(H)	N(C[6a]C[6a]2)(NC)	N(CC[6a]CH)(NC[6a])	C(C[6a]C[6a]2)(CC[6a]CH)(NN)(H)	N(C[6a]C[6a]2)(NC)	111.4940	0.000	1	111.4940	0.000	1	111.7990	0.186	2	113.9447	13.905	3	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:2:1:	3:2:	C-4:N-2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N-2:	N(CC[6a]CH)(NC[6a])	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	N(C[6a]C[6a]2)(NC)	N(CC[6a]CH)(NC[6a])	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	N(C[6a]C[6a]2)(NC)	112.1040	0.000	1	112.1040	0.000	1	111.7990	0.186	2	113.9447	13.905	3	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:2:2:	2:1:	C-4:N-2:	C-3:C-4:N-2:N-2:	N-2:N-1:	N(CCCN)(NN)	C(CC[6a]O)(CHHO)(NN)2	N(NC)(N)	N(CCCN)(NN)	C(CC[6a]O)(CHHO)(NN)2	N(NC)(N)	115.9030	0.798	2	115.9030	0.636	2	115.9030	0.636	2	115.9030	0.636	2	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:3:2:	3:2:	C-4:N-2:	C[6a]-3:S-4:C-3:N-2:	C[6a]-3:N-2:	N(CC[6a]CS)(NC[6a])	C(C[6a]C[6a]2)(SC[6]OO)(CC[6a]O)(NN)	N(C[6a]C[6a]2)(NC)	N(CC[6a]CS)(NC[6a])	C(C[6a]C[6a]2)(SC[6]OO)(CC[6a]O)(NN)	N(C[6a]C[6a]2)(NC)	111.6730	0.000	1	111.6730	0.000	1	111.4077	0.311	3	111.4077	0.311	3	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:3:2:	3:2:	C-4:N-2:	C[6a]-3:S-4:C-3:N-2:	C[6a]-3:N-2:	N(CC[6a]CS)(NC[6a])	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)(NN)	N(C[6a]C[6a]2)(NC)	N(CC[6a]CS)(NC[6a])	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)(NN)	N(C[6a]C[6a]2)(NC)	111.2750	0.718	2	111.2750	0.516	2	111.4077	0.311	3	111.4077	0.311	3	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:4:2:	2:1:	C-4:N-2:	C[5a]-3:C-4:C-4:N-2:	N-2:N-1:	N(CC[5a]CC)(NN)	C(C[5a]C[5a]N[5a])(CCCH)(CH3)(NN)	N(NC)(N)	N(CC[5a]CC)(NN)	C(C[5a]C[5a]N[5a])(CCCH)(CH3)(NN)	N(NC)(N)	113.6880	0.000	1	113.6880	0.000	1	114.2370	0.603	2	113.1926	1.737	5	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:4:2:	2:1:	C-4:N-2:	C[5a]-3:C-4:C-4:N-2:	N-2:N-1:	N(CC[5a]CC)(NN)	C(C[5a]C[5a]N[5a])(CH3)2(NN)	N(NC)(N)	N(CC[5a]CC)(NN)	C(C[5a]C[5a]N[5a])(CH3)2(NN)	N(NC)(N)	114.7860	0.000	1	114.7860	0.000	1	114.2370	0.603	2	113.1926	1.737	5	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:4:2:	2:1:	C-4:N-2:	C[6a]-3:C-4:C-4:N-2:	N-2:N-1:	N(CC[6a]CC)(NN)	C(C[6a]C[6a]2)(CCHO)(CH3)(NN)	N(NC)(N)	N(CC[6a]CC)(NN)	C(C[6a]C[6a]2)(CCHO)(CH3)(NN)	N(NC)(N)	112.4963	1.164	3	112.4963	1.354	3	112.4963	1.354	3	113.1926	1.737	5	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	3:4:4:2:	4:2:	C-4:N-2:	C[6a]-3:C-4:C-4:N-2:	C-4:N-2:	N(CC[6a]CC)(NC)	C(C[6a]C[6a]2)(CH3)2(NN)	N(CC3)(NC)	N(CC[6a]CC)(NC)	C(C[6a]C[6a]2)(CH3)2(NN)	N(CC3)(NC)	114.4820	0.000	1	114.4820	0.000	1	114.4820	0.000	1	114.4820	0.000	1	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C-4:N-2:H-1:H-1:	N-2:N-1:	N(CCHH)(NN)	C(CCCN)(NN)(H)2	N(NC)(N)	N(CCHH)(NN)	C(CCCN)(NN)(H)2	N(NC)(N)	115.0451	1.385	15	115.0451	1.918	15	115.3754	1.749	71	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C-4:N-2:H-1:H-1:	N-2:N-1:	N(CCHH)(NN)	C(CCHH)(NN)(H)2	N(NC)(N)	N(CCHH)(NN)	C(CCHH)(NN)(H)2	N(NC)(N)	115.0649	0.782	15	115.0649	0.612	15	115.3754	1.749	71	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C-4:N-2:H-1:H-1:	N-2:N-1:	N(CCHH)(NN)	C(CCHN)(NN)(H)2	N(NC)(N)	N(CCHH)(NN)	C(CCHN)(NN)(H)2	N(NC)(N)	114.7982	1.222	4	114.7982	1.493	4	115.3754	1.749	71	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C-4:N-2:H-1:H-1:	N-2:N-1:	N(CCHH)(NN)	C(CC[5,6]HH)(NN)(H)2	N(NC)(N)	N(CCHH)(NN)	C(CC[5,6]HH)(NN)(H)2	N(NC)(N)	114.7580	0.000	1	114.7580	0.000	1	115.3754	1.749	71	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C-4:N-2:H-1:H-1:	N-2:N-1:	N(CCHH)(NN)	C(CC[5]HH)(NN)(H)2	N(NC)(N)	N(CCHH)(NN)	C(CC[5]HH)(NN)(H)2	N(NC)(N)	115.8340	0.000	1	115.8340	0.000	1	115.3754	1.749	71	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C-4:N-2:H-1:H-1:	N-2:N-1:	N(CCHH)(NN)	C(CC[6]BrC)(NN)(H)2	N(NC)(N)	N(CCHH)(NN)	C(CC[6]BrC)(NN)(H)2	N(NC)(N)	116.1380	0.000	1	116.1380	0.000	1	115.3754	1.749	71	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C-4:N-2:H-1:H-1:	N-2:N-1:	N(CCHH)(NN)	C(CC[6]HH)(NN)(H)2	N(NC)(N)	N(CCHH)(NN)	C(CC[6]HH)(NN)(H)2	N(NC)(N)	114.5510	1.502	3	114.5510	2.256	3	115.3754	1.749	71	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C-4:N-2:H-1:H-1:	N-2:N-1:	N(CCHH)(NN)	C(CC[6a]CN)(NN)(H)2	N(NC)(N)	N(CCHH)(NN)	C(CC[6a]CN)(NN)(H)2	N(NC)(N)	115.0090	0.000	1	115.0090	0.000	1	115.3754	1.749	71	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C-4:N-2:H-1:H-1:	N-2:N-1:	N(CCHH)(NN)	C(CC[6a]CO)(NN)(H)2	N(NC)(N)	N(CCHH)(NN)	C(CC[6a]CO)(NN)(H)2	N(NC)(N)	116.5720	0.000	1	116.5720	0.000	1	115.3754	1.749	71	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C-4:N-2:H-1:H-1:	N-2:N-1:	N(CCHH)(NN)	C(CHHN)(NN)(H)2	N(NC)(N)	N(CCHH)(NN)	C(CHHN)(NN)(H)2	N(NC)(N)	115.6015	1.624	16	115.6015	2.639	16	115.3754	1.749	71	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C-4:N-2:H-1:H-1:	N-2:N-1:	N(CCHH)(NN)	C(CHHO)(NN)(H)2	N(NC)(N)	N(CCHH)(NN)	C(CHHO)(NN)(H)2	N(NC)(N)	116.0939	1.346	13	116.0939	1.813	13	115.3754	1.749	71	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C[5]-4:N-2:H-1:H-1:	N-2:N-1:	N(CC[5]HH)(NN)	C(C[5]C[5,5]O[5]H)(NN)(H)2	N(NC)(N)	N(CC[5]HH)(NN)	C(C[5]C[5,5]O[5]H)(NN)(H)2	N(NC)(N)	115.3160	0.000	1	115.3160	0.000	1	115.0741	1.670	18	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C[5]-4:N-2:H-1:H-1:	N-2:N-1:	N(CC[5]HH)(NN)	C(C[5]C[5,6a]N[5,5a]C[6a])(NN)(H)2	N(NC)(N)	N(CC[5]HH)(NN)	C(C[5]C[5,6a]N[5,5a]C[6a])(NN)(H)2	N(NC)(N)	115.5820	0.134	2	115.5820	0.018	2	115.0741	1.670	18	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C[5]-4:N-2:H-1:H-1:	N-2:N-1:	N(CC[5]HH)(NN)	C(C[5]C[5]2Cl)(NN)(H)2	N(NC)(N)	N(CC[5]HH)(NN)	C(C[5]C[5]2Cl)(NN)(H)2	N(NC)(N)	118.7390	0.000	1	118.7390	0.000	1	115.0741	1.670	18	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C[5]-4:N-2:H-1:H-1:	N-2:N-1:	N(CC[5]HH)(NN)	C(C[5]C[5]2H)(NN)(H)2	N(NC)(N)	N(CC[5]HH)(NN)	C(C[5]C[5]2H)(NN)(H)2	N(NC)(N)	115.0820	1.461	5	115.0820	2.133	5	115.0741	1.670	18	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C[5]-4:N-2:H-1:H-1:	N-2:N-1:	N(CC[5]HH)(NN)	C(C[5]C[5]N[5]H)(NN)(H)2	N(NC)(N)	N(CC[5]HH)(NN)	C(C[5]C[5]N[5]H)(NN)(H)2	N(NC)(N)	114.6760	0.000	1	114.6760	0.000	1	115.0741	1.670	18	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C[5]-4:N-2:H-1:H-1:	N-2:N-1:	N(CC[5]HH)(NN)	C(C[5]C[5]O[5]H)(NN)(H)2	N(NC)(N)	N(CC[5]HH)(NN)	C(C[5]C[5]O[5]H)(NN)(H)2	N(NC)(N)	114.5035	0.663	8	114.5035	0.439	8	115.0741	1.670	18	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C[6]-4:N-2:H-1:H-1:	N-2:N-1:	N(CC[6]HH)(NN)	C(C[6]C[5,6]C[6]H)(NN)(H)2	N(NC)(N)	N(CC[6]HH)(NN)	C(C[6]C[5,6]C[6]H)(NN)(H)2	N(NC)(N)	115.1075	0.586	2	115.1075	0.344	2	116.3259	4.861	8	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C[6]-4:N-2:H-1:H-1:	N-2:N-1:	N(CC[6]HH)(NN)	C(C[6]C[6]2C)(NN)(H)2	N(NC)(N)	N(CC[6]HH)(NN)	C(C[6]C[6]2C)(NN)(H)2	N(NC)(N)	115.3840	0.000	1	115.3840	0.000	1	116.3259	4.861	8	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	2:1:	C-4:N-2:	C[6]-4:N-2:H-1:H-1:	N-2:N-1:	N(CC[6]HH)(NN)	C(C[6]C[6]O[6]H)(NN)(H)2	N(NC)(N)	N(CC[6]HH)(NN)	C(C[6]C[6]O[6]H)(NN)(H)2	N(NC)(N)	117.0016	2.624	5	117.0016	6.886	5	116.3259	4.861	8	115.3979	2.018	97	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	3:2:	C-4:N-2:	C-4:N-2:Cl-1:Cl-1:	C-3:N-2:	N(CCl2C)(NC)	C(CCl2N)(NN)(Cl)2	N(CCN)(NC)	N(CCl2C)(NC)	C(CCl2N)(NN)(Cl)2	N(CCN)(NC)	114.7160	0.000	1	114.7160	0.000	1	114.7160	0.000	1	114.7160	0.000	1	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:1:1:	4:2:	C-4:N-2:	C-4:N-2:H-1:H-1:	C-4:N-2:	N(CCHH)(NC)	C(CC[6a]CO)(NN)(H)2	N(CC3)(NC)	N(CCHH)(NC)	C(CC[6a]CO)(NN)(H)2	N(CC3)(NC)	111.7480	0.000	1	111.7480	0.000	1	111.7480	0.000	1	111.7480	0.000	1	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:2:2:1:	2:1:	C-4:N-2:	C-4:C-2:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CC[6a]HN)(CC[6a])(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CC[6a]HN)(CC[6a])(NN)(H)	N(NC)(N)	114.3460	0.000	1	114.3460	0.000	1	114.3460	0.000	1	114.3460	0.000	1	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:3:2:1:	2:1:	C-4:N-2:	C-4:C-3:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CCHH)(CCH)(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CCHH)(CCH)(NN)(H)	N(NC)(N)	116.4000	0.000	1	116.4000	0.000	1	115.7469	2.497	10	115.5181	2.188	15	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:3:2:1:	2:1:	C-4:N-2:	C-4:C-3:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CCHH)(CNO)(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CCHH)(CNO)(NN)(H)	N(NC)(N)	116.2190	0.000	1	116.2190	0.000	1	115.7469	2.497	10	115.5181	2.188	15	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:3:2:1:	2:1:	C-4:N-2:	C-4:C-3:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CCHO)(CCH)(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CCHO)(CCH)(NN)(H)	N(NC)(N)	116.0190	0.000	1	116.0190	0.000	1	115.7469	2.497	10	115.5181	2.188	15	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:3:2:1:	2:1:	C-4:N-2:	C-4:C-3:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CC[5]HO)(CNO)(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CC[5]HO)(CNO)(NN)(H)	N(NC)(N)	117.2015	0.036	2	117.2015	0.001	2	115.7469	2.497	10	115.5181	2.188	15	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:3:2:1:	2:1:	C-4:N-2:	C-4:C-3:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CC[6a]HH)(COO)(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CC[6a]HH)(COO)(NN)(H)	N(NC)(N)	114.8830	0.665	2	114.8830	0.442	2	115.7469	2.497	10	115.5181	2.188	15	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:3:2:1:	2:1:	C-4:N-2:	C-4:C-3:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CF3)(CCH)(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CF3)(CCH)(NN)(H)	N(NC)(N)	111.9670	0.000	1	111.9670	0.000	1	115.7469	2.497	10	115.5181	2.188	15	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:3:2:1:	2:1:	C-4:N-2:	C-4:C-3:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CH3)(CCN)(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CH3)(CCN)(NN)(H)	N(NC)(N)	115.8130	0.000	1	115.8130	0.000	1	115.7469	2.497	10	115.5181	2.188	15	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:3:2:1:	2:1:	C-4:N-2:	C-4:C-3:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CH3)(CNO)(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CH3)(CNO)(NN)(H)	N(NC)(N)	116.8820	0.000	1	116.8820	0.000	1	115.7469	2.497	10	115.5181	2.188	15	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:3:2:1:	2:1:	C-4:N-2:	C[5]-4:C-3:N-2:H-1:	N-2:N-1:	N(CC[5]CH)(NN)	C(C[5]C[5]N[5]H)(COO)(NN)(H)	N(NC)(N)	N(CC[5]CH)(NN)	C(C[5]C[5]N[5]H)(COO)(NN)(H)	N(NC)(N)	114.8480	0.000	1	114.8480	0.000	1	114.8480	0.000	1	115.5181	2.188	15	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:3:2:1:	2:1:	C-4:N-2:	C[5]-4:C[6a]-3:N-2:H-1:	N-2:N-1:	N(CC[6a]C[5]H)(NN)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NN)(H)	N(NC)(N)	N(CC[6a]C[5]H)(NN)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NN)(H)	N(NC)(N)	116.2225	1.272	2	116.2225	1.618	2	116.2225	1.618	2	115.5181	2.188	15	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:3:2:1:	2:1:	C-4:N-2:	C[6]-4:C[6a]-3:N-2:H-1:	N-2:N-1:	N(CC[6a]C[6]H)(NN)	C(C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]2)(NN)(H)	N(NC)(N)	N(CC[6a]C[6]H)(NN)	C(C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]2)(NN)(H)	N(NC)(N)	114.0280	0.000	1	114.0280	0.000	1	114.0045	0.001	2	115.5181	2.188	15	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:3:2:1:	2:1:	C-4:N-2:	C[6]-4:C[6a]-3:N-2:H-1:	N-2:N-1:	N(CC[6a]C[6]H)(NN)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NN)(H)	N(NC)(N)	N(CC[6a]C[6]H)(NN)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NN)(H)	N(NC)(N)	113.9810	0.000	1	113.9810	0.000	1	114.0045	0.001	2	115.5181	2.188	15	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:2:1:	2:1:	C-4:N-2:	C-4:C-4:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CCCH)(CCHH)(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CCCH)(CCHH)(NN)(H)	N(NC)(N)	115.1490	0.000	1	115.1490	0.000	1	114.7176	1.706	9	115.4490	2.342	22	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:2:1:	2:1:	C-4:N-2:	C-4:C-4:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CCHH)(CF3)(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CCHH)(CF3)(NN)(H)	N(NC)(N)	115.1410	0.000	1	115.1410	0.000	1	114.7176	1.706	9	115.4490	2.342	22	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:2:1:	2:1:	C-4:N-2:	C-4:C-4:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CCHN)(CCHO)(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CCHN)(CCHO)(NN)(H)	N(NC)(N)	115.1660	0.000	1	115.1660	0.000	1	114.7176	1.706	9	115.4490	2.342	22	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:2:1:	2:1:	C-4:N-2:	C-4:C-4:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CCHO)2(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CCHO)2(NN)(H)	N(NC)(N)	115.3543	0.719	3	115.3543	0.516	3	114.7176	1.706	9	115.4490	2.342	22	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:2:1:	2:1:	C-4:N-2:	C-4:C-4:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CC[5]HO)(CCHN)(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CC[5]HO)(CCHN)(NN)(H)	N(NC)(N)	111.7540	0.000	1	111.7540	0.000	1	114.7176	1.706	9	115.4490	2.342	22	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:2:1:	2:1:	C-4:N-2:	C-4:C-4:N-2:H-1:	N-2:N-1:	N(CCCH)(NN)	C(CC[6a]HH)(CC[6]HO)(NN)(H)	N(NC)(N)	N(CCCH)(NN)	C(CC[6a]HH)(CC[6]HO)(NN)(H)	N(NC)(N)	114.5925	1.422	2	114.5925	2.022	2	114.7176	1.706	9	115.4490	2.342	22	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:2:1:	2:1:	C-4:N-2:	C[3]-4:C-4:N-2:H-1:	N-2:N-1:	N(CC[3]CH)(NN)	C(C[3]C[3]N[3]H)(CH3)(NN)(H)	N(NC)(N)	N(CC[3]CH)(NN)	C(C[3]C[3]N[3]H)(CH3)(NN)(H)	N(NC)(N)	116.6570	0.000	1	116.6570	0.000	1	116.6570	0.000	1	115.4490	2.342	22	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:2:1:	2:1:	C-4:N-2:	C[4]-4:C-4:N-2:H-1:	N-2:N-1:	N(CC[4]CH)(NN)	C(C[4]C[4]O[4]H)(CH3)(NN)(H)	N(NC)(N)	N(CC[4]CH)(NN)	C(C[4]C[4]O[4]H)(CH3)(NN)(H)	N(NC)(N)	113.3940	0.000	1	113.3940	0.000	1	113.3940	0.000	1	115.4490	2.342	22	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:2:1:	2:1:	C-4:N-2:	C[5]-4:C-4:N-2:H-1:	N-2:N-1:	N(CC[5]CH)(NN)	C(C[5]C[5,5]C[5]H)(CHHO)(NN)(H)	N(NC)(N)	N(CC[5]CH)(NN)	C(C[5]C[5,5]C[5]H)(CHHO)(NN)(H)	N(NC)(N)	114.2960	0.000	1	114.2960	0.000	1	116.1245	2.001	11	115.4490	2.342	22	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:2:1:	2:1:	C-4:N-2:	C[5]-4:C-4:N-2:H-1:	N-2:N-1:	N(CC[5]CH)(NN)	C(C[5]C[5]N[5]H)(CCHH)(NN)(H)	N(NC)(N)	N(CC[5]CH)(NN)	C(C[5]C[5]N[5]H)(CCHH)(NN)(H)	N(NC)(N)	117.1585	1.136	4	117.1585	1.289	4	116.1245	2.001	11	115.4490	2.342	22	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:2:1:	2:1:	C-4:N-2:	C[5]-4:C-4:N-2:H-1:	N-2:N-1:	N(CC[5]CH)(NN)	C(C[5]C[5]O[5]H)(CCHH)(NN)(H)	N(NC)(N)	N(CC[5]CH)(NN)	C(C[5]C[5]O[5]H)(CCHH)(NN)(H)	N(NC)(N)	116.3380	0.000	1	116.3380	0.000	1	116.1245	2.001	11	115.4490	2.342	22	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:2:1:	2:1:	C-4:N-2:	C[5]-4:C-4:N-2:H-1:	N-2:N-1:	N(CC[5]CH)(NN)	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	N(NC)(N)	N(CC[5]CH)(NN)	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	N(NC)(N)	115.6202	1.342	5	115.6202	1.800	5	116.1245	2.001	11	115.4490	2.342	22	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:2:1:	4:2:	C-4:N-2:	C-4:C-4:N-2:H-1:	C-4:N-2:	N(CCCH)(NC)	C(CH3)2(NN)(H)	N(CCCO)(NC)	N(CCCH)(NC)	C(CH3)2(NN)(H)	N(CCCO)(NC)	113.4050	0.000	1	113.4050	0.000	1	113.4050	0.000	1	113.4050	0.000	1	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:2:2:	4:2:	C-4:N-2:	C-4:C-4:C-2:N-2:	C-4:N-2:	N(CC3)(NC)	C(CH3)2(CN)(NN)	N(CC3)(NC)	N(CC3)(NC)	C(CH3)2(CN)(NN)	N(CC3)(NC)	114.2760	0.000	1	114.2760	0.000	1	114.2760	0.000	1	113.4115	1.495	2	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:2:2:	4:2:	C-4:N-2:	C-4:C-4:N-2:O-2:	C-4:N-2:	N(CCCO)(NC)	C(CH3)2(NN)(OO)	N(CCCH)(NC)	N(CCCO)(NC)	C(CH3)2(NN)(OO)	N(CCCH)(NC)	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1	113.4115	1.495	2	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:3:2:	2:1:	C-4:N-2:	C-4:C-4:C-3:N-2:	N-2:N-1:	N(CC3)(NN)	C(CH3)2(CNO)(NN)	N(NC)(N)	N(CC3)(NN)	C(CH3)2(CNO)(NN)	N(NC)(N)	115.8413	1.179	11	115.8413	1.389	11	115.8413	1.389	11	115.8413	1.389	11	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:4:2:	2:1:	C-4:N-2:	C[4]-4:C-4:C-4:N-2:	N-2:N-1:	N(CC[4]CC)(NN)	C(C[4]C[4]2H)(CCHH)(CH3)(NN)	N(NC)(N)	N(CC[4]CC)(NN)	C(C[4]C[4]2H)(CCHH)(CH3)(NN)	N(NC)(N)	115.1230	0.000	1	115.1230	0.000	1	115.1230	0.000	1	116.9860	1.110	5	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:4:2:	2:1:	C-4:N-2:	C[5,6]-4:C-4:C-4:N-2:	N-2:N-1:	N(CC[5,6]CC)(NN)	C(C[5,6]C[5,6]2H)(CCHH)(CH3)(NN)	N(NC)(N)	N(CC[5,6]CC)(NN)	C(C[5,6]C[5,6]2H)(CCHH)(CH3)(NN)	N(NC)(N)	117.4470	0.000	1	117.4470	0.000	1	117.4470	0.000	1	116.9860	1.110	5	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:4:2:	2:1:	C-4:N-2:	C[5]-4:C-4:C-4:N-2:	N-2:N-1:	N(CC[5]CC)(NN)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(NN)	N(NC)(N)	N(CC[5]CC)(NN)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(NN)	N(NC)(N)	117.2910	0.000	1	117.2910	0.000	1	117.3255	0.002	2	116.9860	1.110	5	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:4:2:	2:1:	C-4:N-2:	C[5]-4:C-4:C-4:N-2:	N-2:N-1:	N(CC[5]CC)(NN)	C(C[5]C[5]O[5]H)(CHHO)2(NN)	N(NC)(N)	N(CC[5]CC)(NN)	C(C[5]C[5]O[5]H)(CHHO)2(NN)	N(NC)(N)	117.3600	0.000	1	117.3600	0.000	1	117.3255	0.002	2	116.9860	1.110	5	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:4:2:	2:1:	C-4:N-2:	C[6]-4:C-4:C-4:N-2:	N-2:N-1:	N(CC[6]CC)(NN)	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	N(NC)(N)	N(CC[6]CC)(NN)	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	N(NC)(N)	117.7090	0.000	1	117.7090	0.000	1	117.7090	0.000	1	116.9860	1.110	5	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:4:2:	3:2:	C-4:N-2:	C[5]-4:C-4:C-4:N-2:	C[6a]-3:N-2:	N(CC[5]CC)(NC[6a])	C(C[5]C[5]2H)(CH3)2(NN)	N(C[6a]C[6a]2)(NC)	N(CC[5]CC)(NC[6a])	C(C[5]C[5]2H)(CH3)2(NN)	N(C[6a]C[6a]2)(NC)	113.8550	0.000	1	113.8550	0.000	1	113.8550	0.000	1	115.2070	3.656	2	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:4:2:	3:2:	C-4:N-2:	C[6]-4:C-4:C-4:N-2:	C[6a]-3:N-2:	N(CC[6]CC)(NC[6a])	C(C[6]C[6]2H)(CH3)2(NN)	N(C[6a]C[6a]2)(NC)	N(CC[6]CC)(NC[6a])	C(C[6]C[6]2H)(CH3)2(NN)	N(C[6a]C[6a]2)(NC)	116.5590	0.000	1	116.5590	0.000	1	116.5590	0.000	1	115.2070	3.656	2	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:4:2:	4:2:	C-4:N-2:	C-4:C-4:C-4:N-2:	C-4:N-2:	N(CC3)(NC)	C(CH3)3(NN)	N(CCHH)(NC)	N(CC3)(NC)	C(CH3)3(NN)	N(CCHH)(NC)	114.7900	0.000	1	114.7900	0.000	1	114.7435	0.004	2	114.7435	0.004	2	115.0817	2.822	248	115.0817	2.822	248
941	490	941	0:SP2_SP2_SP3	N	C	N	4:2:	4:4:4:2:	4:2:	C-4:N-2:	C-4:C-4:C-4:N-2:	C-4:N-2:	N(CC3)(NC)	C(CH3)3(NN)	N(CC[6a]CC)(NC)	N(CC3)(NC)	C(CH3)3(NN)	N(CC[6a]CC)(NC)	114.6970	0.000	1	114.6970	0.000	1	114.7435	0.004	2	114.7435	0.004	2	115.0817	2.822	248	115.0817	2.822	248
941	490	951	0:SP2_SP-NON_SP3	N	C	H	4:1:	2:2:1:1:	2:	C-4:H-1:	C-2:N-2:H-1:H-1:	N-2:	N(CCHH)(H)	C(CN)(NH)(H)2	H(NC)	N(CCHH)(H)	C(CN)(NH)(H)2	H(NC)	108.6030	0.000	1	108.6030	0.000	1	108.6030	0.000	1	108.6030	0.000	1	110.3522	52.387	19	110.3522	52.387	19
941	490	951	0:SP2_SP-NON_SP3	N	C	H	4:1:	3:2:1:1:	2:	C-4:H-1:	C-3:N-2:H-1:H-1:	N-2:	N(CCHH)(H)	C(CNO)(NH)(H)2	H(NC)	N(CCHH)(H)	C(CNO)(NH)(H)2	H(NC)	110.1070	0.000	1	110.1070	0.000	1	110.1070	0.000	1	113.0660	17.511	2	110.3522	52.387	19	110.3522	52.387	19
941	490	951	0:SP2_SP-NON_SP3	N	C	H	4:1:	3:2:1:1:	2:	C-4:H-1:	C[6a]-3:N-2:H-1:H-1:	N-2:	N(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NH)(H)2	H(NC)	N(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NH)(H)2	H(NC)	116.0250	0.000	1	116.0250	0.000	1	116.0250	0.000	1	113.0660	17.511	2	110.3522	52.387	19	110.3522	52.387	19
941	490	951	0:SP2_SP-NON_SP3	N	C	H	4:1:	3:3:3:2:	2:	C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N-2:	N(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NH)	H(NC)	N(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NH)	H(NC)	111.2230	0.000	1	111.2230	0.000	1	111.2230	0.000	1	111.2230	0.000	1	110.3522	52.387	19	110.3522	52.387	19
941	490	951	0:SP2_SP-NON_SP3	N	C	H	4:1:	4:2:1:1:	2:	C-4:H-1:	C-4:N-2:H-1:H-1:	N-2:	N(CCHH)(H)	C(CCHH)(NH)(H)2	H(NC)	N(CCHH)(H)	C(CCHH)(NH)(H)2	H(NC)	100.9825	8.263	3	100.9825	68.269	3	108.9120	79.127	10	110.0599	85.709	11	110.3522	52.387	19	110.3522	52.387	19
941	490	951	0:SP2_SP-NON_SP3	N	C	H	4:1:	4:2:1:1:	2:	C-4:H-1:	C-4:N-2:H-1:H-1:	N-2:	N(CCHH)(H)	C(CC[6a]HO)(NH)(H)2	H(NC)	N(CCHH)(H)	C(CC[6a]HO)(NH)(H)2	H(NC)	113.7380	0.000	1	113.7380	0.000	1	108.9120	79.127	10	110.0599	85.709	11	110.3522	52.387	19	110.3522	52.387	19
941	490	951	0:SP2_SP-NON_SP3	N	C	H	4:1:	4:2:1:1:	2:	C-4:H-1:	C-4:N-2:H-1:H-1:	N-2:	N(CCHH)(H)	C(CHHN)(NH)(H)2	H(NC)	N(CCHH)(H)	C(CHHN)(NH)(H)2	H(NC)	113.6464	7.574	5	113.6464	57.359	5	108.9120	79.127	10	110.0599	85.709	11	110.3522	52.387	19	110.3522	52.387	19
941	490	951	0:SP2_SP-NON_SP3	N	C	H	4:1:	4:2:1:1:	2:	C-4:H-1:	C-4:N-2:H-1:H-1:	N-2:	N(CCHH)(H)	C(CN[6]HH)(NH)(H)2	H(NC)	N(CCHH)(H)	C(CN[6]HH)(NH)(H)2	H(NC)	104.2030	0.000	1	104.2030	0.000	1	108.9120	79.127	10	110.0599	85.709	11	110.3522	52.387	19	110.3522	52.387	19
941	490	951	0:SP2_SP-NON_SP3	N	C	H	4:1:	4:2:1:1:	2:	C-4:H-1:	C-4:N-2:H-1:O-1:	N-2:	N(CCHO)(H)	C(CCCN)(NH)(H)(O)	H(NC)	N(CCHO)(H)	C(CCCN)(NH)(H)(O)	H(NC)	121.5390	0.000	1	121.5390	0.000	1	121.5390	0.000	1	110.0599	85.709	11	110.3522	52.387	19	110.3522	52.387	19
941	490	951	0:SP2_SP-NON_SP3	N	C	H	4:1:	4:3:2:1:	2:	C-4:H-1:	C[5]-4:C[6a]-3:N-2:H-1:	N-2:	N(CC[6a]C[5]H)(H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NH)(H)	H(NC)	N(CC[6a]C[5]H)(H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NH)(H)	H(NC)	110.7630	0.000	1	110.7630	0.000	1	110.7630	0.000	1	110.7630	0.000	1	110.3522	52.387	19	110.3522	52.387	19
941	490	951	0:SP2_SP-NON_SP3	N	C	H	4:1:	4:4:2:1:	2:	C-4:H-1:	C-4:C-4:N-2:H-1:	N-2:	N(CCCH)(H)	C(CCHO)2(NH)(H)	H(NC)	N(CCCH)(H)	C(CCHO)2(NH)(H)	H(NC)	104.4720	0.000	1	104.4720	0.000	1	104.4720	0.000	1	104.4720	0.000	1	110.3522	52.387	19	110.3522	52.387	19
941	490	951	0:SP2_SP-NON_SP3	N	C	H	4:1:	4:4:3:2:	2:	C-4:H-1:	C-4:C-4:C-3:N-2:	N-2:	N(CC3)(H)	C(CCCH)(CH3)(COO)(NH)	H(NC)	N(CC3)(H)	C(CCCH)(CH3)(COO)(NH)	H(NC)	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	110.3522	52.387	19	110.3522	52.387	19
941	490	951	0:SP2_SP-NON_SP3	N	C	H	4:1:	4:4:4:2:	2:	C-4:H-1:	C-4:C-4:C-4:N-2:	N-2:	N(CC3)(H)	C(CH3)3(NH)	H(NC)	N(CC3)(H)	C(CH3)3(NH)	H(NC)	114.0910	0.000	1	114.0910	0.000	1	114.0910	0.000	1	114.0910	0.000	1	110.3522	52.387	19	110.3522	52.387	19
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	2:1:1:1:	3:3:2:1:	S-4:C-4:	N-2:H-1:H-1:H-1:	C[6a]-3:C-3:N-2:O-1:	N(SC[6a]CO)(CH3)	C(NS)(H)3	S(C[6a]C[6a]2)(CCH)(NC)(O)	N(SC[6a]CO)(CH3)	C(NS)(H)3	S(C[6a]C[6a]2)(CCH)(NC)(O)	114.1882	2.313	4	114.1882	5.352	4	114.1882	5.352	4	114.1882	5.352	4	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	2:1:1:1:	4:2:1:1:	S-4:C-4:	N-2:H-1:H-1:H-1:	C-4:N-2:O-1:O-1:	N(SCOO)(CH3)	C(NS)(H)3	S(CC[6a]HH)(NC)(O)2	N(SCOO)(CH3)	C(NS)(H)3	S(CC[6a]HH)(NC)(O)2	121.8850	0.000	1	121.8850	0.000	1	120.0755	6.549	2	120.0755	6.549	2	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	2:1:1:1:	4:2:1:1:	S-4:C-4:	N-2:H-1:H-1:H-1:	C-4:N-2:O-1:O-1:	N(SCOO)(CH3)	C(NS)(H)3	S(CH3)(NC)(O)2	N(SCOO)(CH3)	C(NS)(H)3	S(CH3)(NC)(O)2	118.2660	0.000	1	118.2660	0.000	1	120.0755	6.549	2	120.0755	6.549	2	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	3:2:1:1:	3:2:1:1:	C-4:S-4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NS)(H)2	S(C[6a]C[6a]2)(NC)(O)2	N(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NS)(H)2	S(C[6a]C[6a]2)(NC)(O)2	120.6480	0.000	1	120.6480	0.000	1	120.6480	0.000	1	118.6967	2.856	3	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	3:2:1:1:	3:2:1:1:	S-4:C-4:	C-3:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCHH)	C(CNO)(NS)(H)2	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCHH)	C(CNO)(NS)(H)2	S(C[6a]C[6a]2)(NC)(O)2	117.7210	0.000	2	117.7210	0.000	2	117.7210	0.000	2	118.6967	2.856	3	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	3:3:2:1:	3:3:2:1:	C-4:S-4:	C[6a]-3:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:O-1:	N(CC[6a]CH)(SC[6a]2O)	C(C[6a]C[6a]2)(CCH)(NS)(H)	S(C[6a]C[6a]2)2(NC)(O)	N(CC[6a]CH)(SC[6a]2O)	C(C[6a]C[6a]2)(CCH)(NS)(H)	S(C[6a]C[6a]2)2(NC)(O)	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	120.4030	0.018	2	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	3:3:2:1:	3:3:2:1:	C-4:S-4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:O-1:	N(CC[6a]2H)(SC[6a]2O)	C(C[6a]C[6a]2)2(NS)(H)	S(C[6a]C[6a]2)2(NC)(O)	N(CC[6a]2H)(SC[6a]2O)	C(C[6a]C[6a]2)2(NS)(H)	S(C[6a]C[6a]2)2(NC)(O)	120.3090	0.000	1	120.3090	0.000	1	120.3090	0.000	1	120.4030	0.018	2	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	3:3:3:2:	3:3:2:1:	S-4:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:O-1:	N(SC[6a]2O)(CC[6a]3)	C(C[6a]C[6a]2)3(NS)	S(C[6a]C[6a]2)2(NC)(O)	N(SC[6a]2O)(CC[6a]3)	C(C[6a]C[6a]2)3(NS)	S(C[6a]C[6a]2)2(NC)(O)	125.8650	0.000	1	125.8650	0.000	1	125.8650	0.000	1	125.8650	0.000	1	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	3:4:2:1:	2:2:1:1:	C-4:S-4:	C[6a]-3:C-4:N-2:H-1:	N-2:O-2:O-1:O-1:	N(CC[6a]CH)(SO3)	C(C[6a]C[6a]2)(CBrCH)(NS)(H)	S(NC)(OC)(O)2	N(CC[6a]CH)(SO3)	C(C[6a]C[6a]2)(CBrCH)(NS)(H)	S(NC)(OC)(O)2	121.6130	0.000	1	121.6130	0.000	1	121.6130	0.000	1	121.6130	0.000	1	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	3:4:2:1:	3:2:1:1:	C-4:S-4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CCHN)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CCHN)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	124.4150	0.000	1	124.4150	0.000	1	123.1767	3.621	6	122.6789	4.650	8	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	3:4:2:1:	3:2:1:1:	C-4:S-4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CC[6]CH)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CC[6]CH)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	122.4360	0.000	1	122.4360	0.000	1	123.1767	3.621	6	122.6789	4.650	8	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	3:4:2:1:	3:2:1:1:	C-4:S-4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	124.5540	0.000	1	124.5540	0.000	1	123.1767	3.621	6	122.6789	4.650	8	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	3:4:2:1:	3:2:1:1:	C-4:S-4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CC[6a]HH)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CC[6a]HH)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	123.6200	2.471	2	123.6200	6.104	2	123.1767	3.621	6	122.6789	4.650	8	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	3:4:2:1:	3:2:1:1:	C-4:S-4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	S(C[6a]C[6a,6a]C[6a])(NC)(O)2	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	S(C[6a]C[6a,6a]C[6a])(NC)(O)2	120.4150	0.000	1	120.4150	0.000	1	123.1767	3.621	6	122.6789	4.650	8	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	3:4:2:1:	3:2:1:1:	C-4:S-4:	C[6a]-3:C-4:N-2:H-1:	N-3:N-2:O-1:O-1:	N(CC[6a]CH)(SNOO)	C(C[6a]C[6a]2)(CB[5]CH)(NS)(H)	S(NCC)(NC)(O)2	N(CC[6a]CH)(SNOO)	C(C[6a]C[6a]2)(CB[5]CH)(NS)(H)	S(NCC)(NC)(O)2	123.2470	0.000	1	123.2470	0.000	1	123.2470	0.000	1	122.6789	4.650	8	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	3:4:2:1:	3:2:1:1:	S-4:C-4:	C-3:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCCH)	C(CC[6a]O)(CCHH)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCCH)	C(CC[6a]O)(CCHH)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	119.1240	0.000	1	119.1240	0.000	1	119.1240	0.000	1	122.6789	4.650	8	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	3:4:2:1:	4:2:1:1:	C-4:S-4:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:O-1:O-1:	N(CC[6a]CH)(SCOO)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	S(CF3)(NC)(O)2	N(CC[6a]CH)(SCOO)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	S(CF3)(NC)(O)2	126.0220	0.799	2	126.0220	0.638	2	125.0913	2.918	3	125.0913	2.918	3	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	3:4:2:1:	4:2:1:1:	C-4:S-4:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:O-1:O-1:	N(CC[6a]CH)(SCOO)	C(C[6a]C[6a]2)(CCl3)(NS)(H)	S(CH3)(NC)(O)2	N(CC[6a]CH)(SCOO)	C(C[6a]C[6a]2)(CCl3)(NS)(H)	S(CH3)(NC)(O)2	123.2300	0.000	1	123.2300	0.000	1	125.0913	2.918	3	125.0913	2.918	3	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	3:4:4:2:	3:2:1:1:	C-4:S-4:	C[6a]-3:C-4:P-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(CC[6a]CP)(SC[6a]OO)	C(C[6a]C[6a]2)(CH3)(PO3)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(CC[6a]CP)(SC[6a]OO)	C(C[6a]C[6a]2)(CH3)(PO3)(NS)	S(C[6a]C[6a]2)(NC)(O)2	127.3080	0.000	1	127.3080	0.000	1	127.3080	0.000	1	127.3080	0.000	1	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:2:1:1:	2:2:1:1:	C-4:S-4:	C-4:N-2:H-1:H-1:	N-2:N-2:O-1:O-1:	N(CCHH)(SNOO)	C(CCCH)(NS)(H)2	S(NC)2(O)2	N(CCHH)(SNOO)	C(CCCH)(NS)(H)2	S(NC)2(O)2	119.9540	0.000	1	119.9540	0.000	1	119.9540	0.000	1	119.9540	0.000	1	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCHH)	C(CCCH)(NS)(H)2	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCHH)	C(CCCH)(NS)(H)2	S(C[6a]C[6a]2)(NC)(O)2	120.0775	2.269	2	120.0775	5.149	2	121.4632	4.616	6	120.8495	4.767	8	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCHH)	C(CC[5]HH)(NS)(H)2	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCHH)	C(CC[5]HH)(NS)(H)2	S(C[6a]C[6a]2)(NC)(O)2	123.4890	0.000	1	123.4890	0.000	1	121.4632	4.616	6	120.8495	4.767	8	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCHH)	C(CHHN)(NS)(H)2	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCHH)	C(CHHN)(NS)(H)2	S(C[6a]C[6a]2)(NC)(O)2	121.7117	2.214	3	121.7117	4.900	3	121.4632	4.616	6	120.8495	4.767	8	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C[3]-4:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[3]HH)	C(C[3]C[3]2H)(NS)(H)2	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[3]HH)	C(C[3]C[3]2H)(NS)(H)2	S(C[6a]C[6a]2)(NC)(O)2	118.2180	0.000	1	118.2180	0.000	1	118.2180	0.000	1	120.8495	4.767	8	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C[5]-4:N-2:H-1:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]N[5]H)(NS)(H)2	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]N[5]H)(NS)(H)2	S(C[6a]C[6a]2)(NC)(O)2	119.7990	0.000	1	119.7990	0.000	1	119.7990	0.000	1	120.8495	4.767	8	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C-4:N-2:H-1:H-1:	C-4:N-2:O-1:O-1:	N(CCHH)(SCOO)	C(CC[5]HH)(NS)(H)2	S(CF3)(NC)(O)2	N(CCHH)(SCOO)	C(CC[5]HH)(NS)(H)2	S(CF3)(NC)(O)2	121.7590	0.000	1	121.7590	0.000	1	121.7590	0.000	1	121.7590	0.000	1	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:3:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCCH)	C(CCCH)(CNO)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCCH)	C(CCCH)(CNO)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	122.9365	0.971	2	122.9365	0.943	2	121.8370	1.414	8	121.4071	2.901	9	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:3:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCCH)	C(CCHH)(COO)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCCH)	C(CCHH)(COO)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	120.5580	0.000	1	120.5580	0.000	1	121.8370	1.414	8	121.4071	2.901	9	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:3:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCCH)	C(CC[6a]2H)(COO)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCCH)	C(CC[6a]2H)(COO)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	121.8010	0.000	1	121.8010	0.000	1	121.8370	1.414	8	121.4071	2.901	9	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:3:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCCH)	C(CC[6a]ClH)(CN[5]O)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCCH)	C(CC[6a]ClH)(CN[5]O)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	122.7480	0.000	1	122.7480	0.000	1	121.8370	1.414	8	121.4071	2.901	9	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:3:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCCH)	C(CC[6a]HH)(COO)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCCH)	C(CC[6a]HH)(COO)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	120.2160	0.000	1	120.2160	0.000	1	121.8370	1.414	8	121.4071	2.901	9	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:3:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCCH)	C(CH3)(CNO)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCCH)	C(CH3)(CNO)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	122.5950	0.000	1	122.5950	0.000	1	121.8370	1.414	8	121.4071	2.901	9	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:3:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCCH)	C(CHHO)(COO)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCCH)	C(CHHO)(COO)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	120.9050	0.000	1	120.9050	0.000	1	121.8370	1.414	8	121.4071	2.901	9	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:3:2:1:	3:2:1:1:	S-4:C-4:	C[4]-4:C-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[4]CH)	C(C[4]C[4]2N)(CCH)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[4]CH)	C(C[4]C[4]2N)(CCH)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	117.9680	0.000	1	117.9680	0.000	1	117.9680	0.000	1	121.4071	2.901	9	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:3:2:1:	4:2:1:1:	C-4:S-4:	C[5]-4:C[6a]-3:N-2:H-1:	C-4:N-2:O-1:O-1:	N(CC[6a]C[5]H)(SCOO)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NS)(H)	S(CH3)(NC)(O)2	N(CC[6a]C[5]H)(SCOO)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NS)(H)	S(CH3)(NC)(O)2	121.6170	0.000	1	121.6170	0.000	1	121.6170	0.000	1	124.0247	4.356	3	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:3:2:1:	4:2:1:1:	C-4:S-4:	C[6]-4:C-3:N-2:H-1:	C-4:N-2:O-1:O-1:	N(CC[6]CH)(SCOO)	C(C[6]C[6]2H)(CCH)(NS)(H)	S(CC3)(NC)(O)2	N(CC[6]CH)(SCOO)	C(C[6]C[6]2H)(CCH)(NS)(H)	S(CC3)(NC)(O)2	125.2285	0.131	2	125.2285	0.017	2	125.2285	0.017	2	124.0247	4.356	3	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:4:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCCH)	C(CCCN)(CCHH)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCCH)	C(CCCN)(CCHH)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	123.8135	0.310	2	123.8135	0.096	2	122.6937	3.347	8	122.5531	3.107	9	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:4:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCCH)	C(CCHH)(CHHN)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCCH)	C(CCHH)(CHHN)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	119.0850	0.000	1	119.0850	0.000	1	122.6937	3.347	8	122.5531	3.107	9	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:4:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCCH)	C(CCHH)(CHHS)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCCH)	C(CCHH)(CHHS)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	123.5380	1.325	2	123.5380	1.756	2	122.6937	3.347	8	122.5531	3.107	9	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:4:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCCH)	C(CCHN)(CF3)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCCH)	C(CCHN)(CF3)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	124.3280	0.000	1	124.3280	0.000	1	122.6937	3.347	8	122.5531	3.107	9	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:4:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCCH)	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCCH)	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	121.5670	0.000	1	121.5670	0.000	1	122.6937	3.347	8	122.5531	3.107	9	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:4:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCCH)	C(CC[6a]HO)(CHHO)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCCH)	C(CC[6a]HO)(CHHO)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	121.8670	0.000	1	121.8670	0.000	1	122.6937	3.347	8	122.5531	3.107	9	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:4:2:1:	3:2:1:1:	S-4:C-4:	C[5]-4:C-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[5]CH)	C(C[5]C[5]2Fe)(CH3)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[5]CH)	C(C[5]C[5]2Fe)(CH3)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	121.4280	0.000	1	121.4280	0.000	1	121.4280	0.000	1	122.5531	3.107	9	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:4:2:1:	3:4:2:1:	S-4:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:O-1:	N(SC[6a]CO)(CCCH)	C(CCCH)(CHHO)(NS)(H)	S(C[6a]C[6a]2)(CC[5]CH)(NC)(O)	N(SC[6a]CO)(CCCH)	C(CCCH)(CHHO)(NS)(H)	S(C[6a]C[6a]2)(CC[5]CH)(NC)(O)	119.6580	0.000	1	119.6580	0.000	1	118.8060	1.172	3	118.8060	1.172	3	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:4:2:1:	3:4:2:1:	S-4:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:O-1:	N(SC[6a]CO)(CCCH)	C(CCCH)(CHHO)(NS)(H)	S(C[6a]C[6a]2)(CC[5]HH)(NC)(O)	N(SC[6a]CO)(CCCH)	C(CCCH)(CHHO)(NS)(H)	S(C[6a]C[6a]2)(CC[5]HH)(NC)(O)	118.3800	1.120	2	118.3800	1.255	2	118.8060	1.172	3	118.8060	1.172	3	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:4:3:2:	3:2:1:1:	S-4:C-4:	C-4:C-4:C-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC3)	C(CH3)2(CNO)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC3)	C(CH3)2(CNO)(NS)	S(C[6a]C[6a]2)(NC)(O)2	123.5970	0.000	1	123.5970	0.000	1	123.8700	0.149	2	123.8700	0.149	2	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:4:3:2:	3:2:1:1:	S-4:C-4:	C-4:C-4:C-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC3)	C(CH3)2(COO)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC3)	C(CH3)2(COO)(NS)	S(C[6a]C[6a]2)(NC)(O)2	124.1430	0.000	1	124.1430	0.000	1	123.8700	0.149	2	123.8700	0.149	2	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:4:4:2:	3:3:2:2:	S-4:C-4:	C-4:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:N-2:N-2:	N(SC[6a]2N)(CC3)	C(CCHH)(CH3)2(NS)	S(C[6a]C[6a]2)2(NC)(NS)	N(SC[6a]2N)(CC3)	C(CCHH)(CH3)2(NS)	S(C[6a]C[6a]2)2(NC)(NS)	125.3980	0.000	1	125.3980	0.000	1	125.3980	0.000	1	125.3980	0.000	1	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:4:4:2:	3:4:2:2:	S-4:C-4:	C-4:C-4:C-4:N-2:	C[6a]-3:C-4:N-2:N-2:	N(SC[6a]CN)(CC3)	C(CCHH)(CH3)2(NS)	S(C[6a]C[6a]2)(CH3)(NC)(NS)	N(SC[6a]CN)(CC3)	C(CCHH)(CH3)2(NS)	S(C[6a]C[6a]2)(CH3)(NC)(NS)	127.8730	0.000	1	127.8730	0.000	1	127.8730	0.000	1	127.8730	0.000	1	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:4:4:2:	4:3:2:2:	S-4:C-4:	C-4:C-4:C-4:N-2:	C-4:N-3:N-2:N-2:	N(SCNN)(CC3)	C(CH3)3(NS)	S(CH3)(NCH)(NC)2	N(SCNN)(CC3)	C(CH3)3(NS)	S(CH3)(NCH)(NC)2	124.7865	0.851	2	124.7865	0.724	2	124.7653	2.536	6	124.7653	2.536	6	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	4:4:4:2:	4:3:2:2:	S-4:C-4:	C-4:C-4:C-4:N-2:	C-4:N-3:N-2:N-2:	N(SCNN)(CC3)	C(CH3)3(NS)	S(CHHS)(NCH)(NC)2	N(SCNN)(CC3)	C(CH3)3(NS)	S(CHHS)(NCH)(NC)2	124.7548	1.996	4	124.7548	3.985	4	124.7653	2.536	6	124.7653	2.536	6	121.8881	10.226	70	121.8881	10.226	70
941	490	952	0:SP2_SP3_SP3	N	C	S	4:4:	5:2:1:1:	3:2:1:1:	C-4:S-4:	C[3x3,4,3x5,14x6]-5:N-2:H-1:H-1:	N-3:N-2:O-1:O-1:	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	S(NHH)(NC)(O)2	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	S(NHH)(NC)(O)2	124.6280	0.000	1	124.6280	0.000	1	124.6280	0.000	1	124.6280	0.000	1	121.8881	10.226	70	121.8881	10.226	70
941	490	955	0:SP2_SP3_SP3	N	C	P[5]	4:4:	4:2:3:1:	2:2:2:1:	P[5]-4:C-4:	C-4:N-2:C-3:H-1:	O[5]-2:S[5]-2:N-2:S-1:	N(P[5]O[5]S[5]S)(CCCH)	C(CC[5]HH)(NP[5])(COO)(H)	P[5](O[5]C[5])(S[5]C[5])(NC)(S)	N(P[5]O[5]S[5]S)(CCCH)	C(CC[5]HH)(NP[5])(COO)(H)	P[5](O[5]C[5])(S[5]C[5])(NC)(S){4|H<1>}	125.6380	0.000	1	125.6380	0.000	1	125.6380	0.000	1	125.6380	0.000	1	125.6380	0.000	1	125.6380	0.000	1
941	490	956	0:SP2_SP2_SP3	N	C	N	3:4:	2:1:1:1:	3:2:1:	N-3:C-4:	N-2:H-1:H-1:H-1:	C[5a]-3:N-2:O-1:	N(NC[5a]O)(CH3)	C(NN)(H)3	N(C[5a]C[5a]N[5a])(NC)(O)	N(NC[5a]O)(CH3)	C(NN)(H)3	N(C[5a]C[5a]N[5a])(NC)(O)	112.8690	1.138	2	112.8690	1.296	2	112.8690	1.296	2	112.8690	1.296	2	113.3449	5.851	9	113.3449	5.851	9
941	490	956	0:SP2_SP2_SP3	N	C	N	3:4:	4:4:4:2:	3:2:1:	N-3:C-4:	C-4:C-4:C-4:N-2:	C[5a]-3:N-2:O-1:	N(NC[5a]O)(CC3)	C(CH3)3(NN)	N(C[5a]C[5a]N[5a])(NC)(O)	N(NC[5a]O)(CC3)	C(CH3)3(NN)	N(C[5a]C[5a]N[5a])(NC)(O)	117.6480	0.000	1	117.6480	0.000	1	117.6480	0.000	1	117.6480	0.000	1	113.3449	5.851	9	113.3449	5.851	9
941	490	956	0:SP2_SP2_SP3	N	C	N	4:3:	4:2:1:1:	2:1:1:	C-4:N-3:	C-4:N-2:H-1:H-1:	N-2:O-1:O-1:	N(CCHH)(NOO)	C(CHHN)(NN)(H)2	N(NC)(O)2	N(CCHH)(NOO)	C(CHHN)(NN)(H)2	N(NC)(O)2	114.1630	0.637	4	114.1630	0.405	4	114.1630	0.405	4	114.1630	0.405	4	113.3449	5.851	9	113.3449	5.851	9
941	490	956	0:SP2_SP2_SP3	N	C	N	4:3:	4:2:1:1:	3:2:1:	C-4:N-3:	C-4:N-2:H-1:H-1:	C-3:N-2:O-1:	N(CCHH)(NCO)	C(CC[6a]OP)(NN)(H)2	N(CCC)(NC)(O)	N(CCHH)(NCO)	C(CC[6a]OP)(NN)(H)2	N(CCC)(NC)(O)	109.4360	0.000	1	109.4360	0.000	1	109.4360	0.000	1	109.4360	0.000	1	113.3449	5.851	9	113.3449	5.851	9
941	490	956	0:SP2_SP2_SP3	N	C	N	4:3:	4:2:1:1:	4:2:1:	C-4:N-3:	C-4:N-2:H-1:H-1:	C-4:N-2:O-1:	N(CCHH)(NCO)	C(CC[6a]OP)(NN)(H)2	N(CC3)(NC)(O)	N(CCHH)(NCO)	C(CC[6a]OP)(NN)(H)2	N(CC3)(NC)(O)	110.6300	0.000	1	110.6300	0.000	1	110.6300	0.000	1	110.6300	0.000	1	113.3449	5.851	9	113.3449	5.851	9
941	490	959	0:SP2_SP3_SP3	N	C	S[5]	4:4:	3:3:2:1:	3:3:2:1:	S[5]-4:C-4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[5,6a]-3:C[5,6a]-3:N-2:O-1:	N(S[5]C[5,6a]2O)(CC[6a]2H)	C(C[6a]C[6a]2)2(NS[5])(H)	S[5](C[5,6a]C[5,6a]C[6a])2(NC)(O)	N(S[5]C[5,6a]2O)(CC[6a]2H)	C(C[6a]C[6a]2)2(NS[5])(H)	S[5](C[5,6a]C[5,6a]C[6a])2(NC)(O){2|H<1>,4|C<3>}	118.3620	0.611	2	118.3620	0.373	2	118.3620	0.373	2	118.3620	0.373	2	118.3620	0.373	2	118.3620	0.373	2
941	490	961	0:SP2_SP3_SP3	N	C	S[6]	4:4:	2:4:4:4:	3:2:2:1:	S[6]-4:C-4:	N-2:C-4:C-4:C-4:	C[6,6a]-3:O[6]-2:N-2:O-1:	N(S[6]C[6,6a]O[6]O)(CC3)	C(NS[6])(CH3)3	S[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC)(O)	N(S[6]C[6,6a]O[6]O)(CC3)	C(NS[6])(CH3)3	S[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC)(O){2|C<3>,2|C<4>,2|H<1>}	125.6210	0.000	1	125.6210	0.000	1	125.6210	0.000	1	125.6210	0.000	1	125.6210	0.000	1	125.6210	0.000	1
941	490	983	0:SP2_SP1_SP3	N	C	C	2:4:	4:4:4:2:	3:2:	C-2:C-4:	C-4:C-4:C-4:N-2:	C[6]-3:N-2:	N(CC[6])(CC3)	C(CH3)3(NC)	C(C[6]N[6]2)(NC)	N(CC[6])(CC3)	C(CH3)3(NC)	C(C[6]N[6]2)(NC)	122.8980	0.000	1	122.8980	0.000	1	122.8980	0.000	1	122.8980	0.000	1	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	2:4:	4:4:4:2:	4:2:	C-2:C-4:	C-4:C-4:C-4:N-2:	B[5]-4:N-2:	N(CB[5])(CC3)	C(CH3)3(NC)	C(B[5]C[6a]C[5]2)(NC)	N(CB[5])(CC3)	C(CH3)3(NC)	C(B[5]C[6a]C[5]2)(NC)	172.6850	0.000	1	172.6850	0.000	1	172.6850	0.000	1	174.3005	5.220	2	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	2:4:	4:4:4:2:	4:2:	C-2:C-4:	C-4:C-4:C-4:N-2:	B[6,6]-4:N-2:	N(CB[6,6])(CC3)	C(CH3)3(NC)	C(B[6,6]C[6,6]2C[6a])(NC)	N(CB[6,6])(CC3)	C(CH3)3(NC)	C(B[6,6]C[6,6]2C[6a])(NC)	175.9160	0.000	1	175.9160	0.000	1	175.9160	0.000	1	174.3005	5.220	2	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	2:4:	4:4:4:2:	5:2:	C-2:C-4:	C-4:C-4:C-4:N-2:	B[3,3,5,3x6]-5:N-2:	N(CB[3,3,5,3x6])(CC3)	C(CH3)3(NC)	C(B[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]Pt)(NC)	N(CB[3,3,5,3x6])(CC3)	C(CH3)3(NC)	C(B[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]Pt)(NC)	171.2270	0.000	1	171.2270	0.000	1	171.2270	0.000	1	175.4130	35.045	2	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	2:4:	4:4:4:2:	5:2:	C-2:C-4:	C-4:C-4:C-4:N-2:	Nb[6]-5:N-2:	N(CNb[6])(CC3)	C(CH3)3(NC)	C(Nb[6]N[6]2NN)(NC)	N(CNb[6])(CC3)	C(CH3)3(NC)	C(Nb[6]N[6]2NN)(NC)	179.5990	0.000	1	179.5990	0.000	1	179.5990	0.000	1	175.4130	35.045	2	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	2:4:	4:4:4:2:	6:2:	C-2:C-4:	C-4:C-4:C-4:N-2:	Nb[3,6]-6:N-2:	N(CNb[3,6])(CC3)	C(CH3)3(NC)	C(Nb[3,6]C[3]2N[6]2N)(NC)	N(CNb[3,6])(CC3)	C(CH3)3(NC)	C(Nb[3,6]C[3]2N[6]2N)(NC)	176.9720	0.000	1	176.9720	0.000	1	176.9720	0.000	1	176.9720	0.000	1	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	2:1:1:1:	2:1:	C-4:C-2:	N-2:H-1:H-1:H-1:	N-2:O-1:	N(CH3)(CO)	C(NC)(H)3	C(NC)(O)	N(CH3)(CO)	C(NC)(H)3	C(NC)(O)	150.3942	6.158	5	150.3942	37.916	5	150.3942	37.916	5	150.3942	37.916	5	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	2:1:1:1:	4:2:	C-4:C-2:	N-2:H-1:H-1:H-1:	C-4:N-2:	N(CH3)(CC)	C(NC)(H)3	C(CHHO)(NC)	N(CH3)(CC)	C(NC)(H)3	C(CHHO)(NC)	115.4080	0.000	1	115.4080	0.000	1	115.4080	0.000	1	115.4080	0.000	1	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	3:2:1:1:	2:1:	C-4:C-2:	C-3:N-2:H-1:H-1:	N-2:S-1:	N(CCHH)(CS)	C(CN[5]O)(NC)(H)2	C(NC)(S)	N(CCHH)(CS)	C(CN[5]O)(NC)(H)2	C(NC)(S)	144.0990	0.000	1	144.0990	0.000	1	144.0990	0.000	1	144.0990	0.000	1	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	3:2:1:1:	2:2:	C-4:C-2:	C[6a]-3:N-2:H-1:H-1:	N-2:N-2:	N(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(NC)(H)2	C(NC)2	N(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(NC)(H)2	C(NC)2	117.4870	0.000	1	117.4870	0.000	1	117.4870	0.000	1	117.4870	0.000	1	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	3:2:1:1:	3:2:	C-4:C-2:	C[6a]-3:N-2:H-1:H-1:	C[6]-3:N-2:	N(CC[6a]HH)(CC[6])	C(C[6a]C[6a]2)(NC)(H)2	C(C[6]N[6]2)(NC)	N(CC[6a]HH)(CC[6])	C(C[6a]C[6a]2)(NC)(H)2	C(C[6]N[6]2)(NC)	119.3700	0.000	1	119.3700	0.000	1	119.3700	0.000	1	119.3700	0.000	1	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	3:3:2:1:	2:1:	C-4:C-2:	C[6a]-3:C[6a]-3:N-2:H-1:	N-2:S-1:	N(CC[6a]2H)(CS)	C(C[6a]C[6a]2)2(NC)(H)	C(NC)(S)	N(CC[6a]2H)(CS)	C(C[6a]C[6a]2)2(NC)(H)	C(NC)(S)	168.3495	0.422	2	168.3495	0.178	2	168.3495	0.178	2	168.3495	0.178	2	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	3:3:4:2:	2:1:	C-4:C-2:	C[6a]-3:C[6a]-3:C-4:N-2:	N-2:S-1:	N(CC[6a]2C)(CS)	C(C[6a]C[6a]2)2(CCHH)(NC)	C(NC)(S)	N(CC[6a]2C)(CS)	C(C[6a]C[6a]2)2(CCHH)(NC)	C(NC)(S)	161.3570	0.000	1	161.3570	0.000	1	161.3570	0.000	1	161.3570	0.000	1	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	3:3:4:2:	3:2:	C-4:C-2:	C[6a]-3:C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]2C)(CC)	C(C[6a]C[6a]2)2(CH3)(NC)	C(CSiC)(NC)	N(CC[6a]2C)(CC)	C(C[6a]C[6a]2)2(CH3)(NC)	C(CSiC)(NC)	124.0960	0.000	1	124.0960	0.000	1	124.0960	0.000	1	124.0960	0.000	1	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	3:4:2:1:	2:1:	C-4:C-2:	C[6a]-3:C-4:N-2:H-1:	N-2:O-1:	N(CC[6a]CH)(CO)	C(C[6a]C[6a]2)(CC[6a]2C)(NC)(H)	C(NC)(O)	N(CC[6a]CH)(CO)	C(C[6a]C[6a]2)(CC[6a]2C)(NC)(H)	C(NC)(O)	141.0260	0.000	1	141.0260	0.000	1	141.0260	0.000	1	141.0260	0.000	1	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:2:1:1:	2:1:	C-4:C-2:	C-4:N-2:H-1:H-1:	N-2:S-1:	N(CCHH)(CS)	C(CCHN)(NC)(H)2	C(NC)(S)	N(CCHH)(CS)	C(CCHN)(NC)(H)2	C(NC)(S)	158.9983	11.932	7	158.9983	142.369	7	158.8681	95.784	10	161.7274	123.830	12	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:2:1:1:	2:1:	C-4:C-2:	C-4:N-2:H-1:H-1:	N-2:S-1:	N(CCHH)(CS)	C(CHHN)(NC)(H)2	C(NC)(S)	N(CCHH)(CS)	C(CHHN)(NC)(H)2	C(NC)(S)	156.7480	0.000	1	156.7480	0.000	1	158.8681	95.784	10	161.7274	123.830	12	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:2:1:1:	2:1:	C-4:C-2:	C-4:N-2:H-1:H-1:	N-2:S-1:	N(CCHH)(CS)	C(CN[6a]HH)(NC)(H)2	C(NC)(S)	N(CCHH)(CS)	C(CN[6a]HH)(NC)(H)2	C(NC)(S)	159.4725	1.582	2	159.4725	2.502	2	158.8681	95.784	10	161.7274	123.830	12	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:2:1:1:	2:1:	C-4:C-2:	C-4:N-2:H-1:H-1:	N-2:Se-1:	N(CCHH)(CSe)	C(CCHH)(NC)(H)2	C(NC)(Se)	N(CCHH)(CSe)	C(CCHH)(NC)(H)2	C(NC)(Se)	176.0240	3.087	2	176.0240	9.531	2	176.0240	9.531	2	161.7274	123.830	12	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:2:1:1:	2:2:	C-4:C-2:	C[6]-4:N-2:H-1:H-1:	N-2:N-2:	N(CC[6]HH)(CN)	C(C[6]C[6]O[6]H)(NC)(H)2	C(NC)2	N(CC[6]HH)(CN)	C(C[6]C[6]O[6]H)(NC)(H)2	C(NC)2	123.4138	0.871	4	123.4138	0.759	4	123.4138	0.759	4	123.4138	0.759	4	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:2:1:1:	4:2:	C-4:C-2:	C-4:N-2:H-1:H-1:	B-4:N-2:	N(CCHH)(CB)	C(CCHH)(NC)(H)2	C(BC[6a]2C)(NC)	N(CCHH)(CB)	C(CCHH)(NC)(H)2	C(BC[6a]2C)(NC)	173.2730	0.485	2	173.2730	0.235	2	173.2730	0.235	2	173.2730	0.235	2	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:3:2:1:	2:1:	C-4:C-2:	C[5]-4:C[6a]-3:N-2:H-1:	N-2:S-1:	N(CC[6a]C[5]H)(CS)	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(NC)(H)	C(NC)(S)	N(CC[6a]C[5]H)(CS)	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(NC)(H)	C(NC)(S)	163.0110	0.000	1	163.0110	0.000	1	163.0110	0.000	1	163.0110	0.000	1	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:4:3:2:	2:1:	C-4:C-2:	C-4:C-4:C-3:N-2:	N-2:S-1:	N(CC3)(CS)	C(CC[6a]HH)(CCCN)(COO)(NC)	C(NC)(S)	N(CC3)(CS)	C(CC[6a]HH)(CCCN)(COO)(NC)	C(NC)(S)	150.9730	7.220	2	150.9730	52.122	2	150.9730	52.122	2	150.9730	52.122	2	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:4:4:2:	2:2:	C-4:C-2:	C-4:C-4:C-4:N-2:	N-2:N-2:	N(CC3)(CN)	C(CH3)3(NC)	C(NNi)(NC)	N(CC3)(CN)	C(CH3)3(NC)	C(NNi)(NC)	122.4960	0.000	1	122.4960	0.000	1	122.4960	0.000	1	130.5710	52.171	3	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:4:4:2:	2:2:	C-4:C-2:	C-4:C-4:C-4:N-2:	P-2:N-2:	N(CC3)(CP)	C(CH3)3(NC)	C(PB[5a])(NC)	N(CC3)(CP)	C(CH3)3(NC)	C(PB[5a])(NC)	134.6085	2.556	2	134.6085	6.534	2	134.6085	6.534	2	130.5710	52.171	3	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:4:4:2:	3:2:	C-4:C-2:	C-4:C-4:C-4:N-2:	B-3:N-2:	N(CC3)(CB)	C(CH3)3(NC)	C(BC[5]2)(NC)	N(CC3)(CB)	C(CH3)3(NC)	C(BC[5]2)(NC)	127.0020	0.000	1	127.0020	0.000	1	127.0020	0.000	1	146.3792	401.811	11	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:4:4:2:	3:2:	C-4:C-2:	C-4:C-4:C-4:N-2:	C-3:N-2:	N(CC3)(CC)	C(CH3)3(NC)	C(CBN)(NC)	N(CC3)(CC)	C(CH3)3(NC)	C(CBN)(NC)	131.9740	0.000	1	131.9740	0.000	1	143.6413	547.501	6	146.3792	401.811	11	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:4:4:2:	3:2:	C-4:C-2:	C-4:C-4:C-4:N-2:	C-3:N-2:	N(CC3)(CC)	C(CH3)3(NC)	C(CFeC)(NC)	N(CC3)(CC)	C(CH3)3(NC)	C(CFeC)(NC)	169.9440	0.000	1	169.9440	0.000	1	143.6413	547.501	6	146.3792	401.811	11	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:4:4:2:	3:2:	C-4:C-2:	C-4:C-4:C-4:N-2:	C-3:N-2:	N(CC3)(CC)	C(CH3)3(NC)	C(CNN)(NC)	N(CC3)(CC)	C(CH3)3(NC)	C(CNN)(NC)	122.4930	0.000	1	122.4930	0.000	1	143.6413	547.501	6	146.3792	401.811	11	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:4:4:2:	3:2:	C-4:C-2:	C-4:C-4:C-4:N-2:	C-3:N-2:	N(CC3)(CC)	C(CH3)3(NC)	C(COsC)(NC)	N(CC3)(CC)	C(CH3)3(NC)	C(COsC)(NC)	176.8690	0.000	1	176.8690	0.000	1	143.6413	547.501	6	146.3792	401.811	11	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:4:4:2:	3:2:	C-4:C-2:	C-4:C-4:C-4:N-2:	C-3:N-2:	N(CC3)(CC)	C(CH3)3(NC)	C(CPP)(NC)	N(CC3)(CC)	C(CH3)3(NC)	C(CPP)(NC)	130.2840	1.175	2	130.2840	1.381	2	143.6413	547.501	6	146.3792	401.811	11	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:4:4:2:	3:2:	C-4:C-2:	C-4:C-4:C-4:N-2:	Ge-3:N-2:	N(CC3)(CGe)	C(CH3)3(NC)	C(GeC[6a]Ge)(NC)	N(CC3)(CGe)	C(CH3)3(NC)	C(GeC[6a]Ge)(NC)	168.3500	0.000	1	168.3500	0.000	1	168.3500	0.000	1	146.3792	401.811	11	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:4:4:2:	3:2:	C-4:C-2:	C-4:C-4:C-4:N-2:	P-3:N-2:	N(CC3)(CP)	C(CH3)3(NC)	C(PCW)(NC)	N(CC3)(CP)	C(CH3)3(NC)	C(PCW)(NC)	165.4480	0.000	1	165.4480	0.000	1	165.4480	0.000	1	146.3792	401.811	11	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:4:4:2:	3:2:	C-4:C-2:	C-4:C-4:C-4:N-2:	Si-3:N-2:	N(CC3)(CSi)	C(CH3)3(NC)	C(SiSi2)(NC)	N(CC3)(CSi)	C(CH3)3(NC)	C(SiSi2)(NC)	143.7615	0.334	2	143.7615	0.112	2	143.7615	0.112	2	146.3792	401.811	11	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:4:4:2:	4:2:	C-4:C-2:	C-4:C-4:C-4:N-2:	B-4:N-2:	N(CC3)(CB)	C(CH3)3(NC)	C(BC[6a]2C)(NC)	N(CC3)(CB)	C(CH3)3(NC)	C(BC[6a]2C)(NC)	174.4431	1.677	8	174.4431	2.811	8	174.1942	3.017	9	175.3619	6.690	12	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:4:4:2:	4:2:	C-4:C-2:	C-4:C-4:C-4:N-2:	B-4:N-2:	N(CC3)(CB)	C(CH3)3(NC)	C(BC[6a]2C[5])(NC)	N(CC3)(CB)	C(CH3)3(NC)	C(BC[6a]2C[5])(NC)	172.2030	0.000	1	172.2030	0.000	1	174.1942	3.017	9	175.3619	6.690	12	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:4:4:2:	4:2:	C-4:C-2:	C-4:C-4:C-4:N-2:	Ga-4:N-2:	N(CC3)(CGa)	C(CH3)3(NC)	C(GaC3)(NC)	N(CC3)(CGa)	C(CH3)3(NC)	C(GaC3)(NC)	178.6210	0.081	2	178.6210	0.006	2	178.8650	0.182	3	175.3619	6.690	12	154.6705	421.016	67	154.6705	421.016	67
941	490	983	0:SP2_SP1_SP3	N	C	C	4:2:	4:4:4:2:	4:2:	C-4:C-2:	C-4:C-4:C-4:N-2:	Ga-4:N-2:	N(CC3)(CGa)	C(CH3)3(NC)	C(GaCl3)(NC)	N(CC3)(CGa)	C(CH3)3(NC)	C(GaCl3)(NC)	179.3530	0.000	1	179.3530	0.000	1	178.8650	0.182	3	175.3619	6.690	12	154.6705	421.016	67	154.6705	421.016	67
941	490	989	0:SP2_SP2_SP3	N	C	Si[5]	3:4:	3:2:1:1:	4:4:2:	Si[5]-3:C-4:	C[6a]-3:N-2:H-1:H-1:	C[5]-4:C[5]-4:N-2:	N(Si[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NSi[5])(H)2	Si[5](C[5]C[5]Si2)2(NC)	N(Si[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NSi[5])(H)2	Si[5](C[5]C[5]Si2)2(NC){4|H<1>}	138.0770	0.000	1	138.0770	0.000	1	138.0770	0.000	1	138.0770	0.000	1	138.0770	0.000	1	138.0770	0.000	1
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	2:1:1:1:	3:3:2:1:	P-4:C-4:	N-2:H-1:H-1:H-1:	N-3:N-3:N-2:O-1:	N(PNNO)(CH3)	C(NP)(H)3	P(NCH)2(NC)(O)	N(PNNO)(CH3)	C(NP)(H)3	P(NCH)2(NC)(O)	123.1730	0.000	1	123.1730	0.000	1	123.1730	0.000	1	123.1730	0.000	1	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	2:1:1:1:	3:3:2:2:	P-4:C-4:	N-2:H-1:H-1:H-1:	N-3:N-3:O-2:N-2:	N(PNNO)(CH3)	C(NP)(H)3	P(NCC)2(OLi)(NC)	N(PNNO)(CH3)	C(NP)(H)3	P(NCC)2(OLi)(NC)	125.0240	0.000	1	125.0240	0.000	1	125.0240	0.000	1	125.0240	0.000	1	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	3:2:1:1:	3:2:2:1:	C-4:P-4:	C[6a]-3:N-2:H-1:H-1:	N-3:O-2:N-2:O-1:	N(CC[6a]HH)(PNOO)	C(C[6a]C[6a]2)(NP)(H)2	P(NC[6a]H)(OC[6a])(NC)(O)	N(CC[6a]HH)(PNOO)	C(C[6a]C[6a]2)(NP)(H)2	P(NC[6a]H)(OC[6a])(NC)(O)	120.5000	0.000	1	120.5000	0.000	1	120.5000	0.000	1	120.5000	0.000	1	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	3:2:1:1:	3:3:3:2:	C-4:P-4:	C[6]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(CC[6]HH)(PC[6a]3)	C(C[6]C[6]N[6])(NP)(H)2	P(C[6a]C[6a]2)3(NC)	N(CC[6]HH)(PC[6a]3)	C(C[6]C[6]N[6])(NP)(H)2	P(C[6a]C[6a]2)3(NC)	117.8220	0.000	2	117.8220	0.000	2	117.8220	0.000	2	120.8695	14.342	4	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	3:2:1:1:	3:3:3:2:	C-4:P-4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(CC[6a]HH)(PC[6a]3)	C(C[6a]C[6a]N[6a])(NP)(H)2	P(C[6a]C[6a]2)3(NC)	N(CC[6a]HH)(PC[6a]3)	C(C[6a]C[6a]N[6a])(NP)(H)2	P(C[6a]C[6a]2)3(NC)	123.9170	2.424	2	123.9170	5.876	2	123.9170	5.876	2	120.8695	14.342	4	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	3:2:1:1:	4:4:4:2:	C-4:P-4:	C[6]-3:N-2:H-1:H-1:	C-4:C-4:C-4:N-2:	N(CC[6]HH)(PC3)	C(C[6]C[6]N[6])(NP)(H)2	P(CCHH)3(NC)	N(CC[6]HH)(PC3)	C(C[6]C[6]N[6])(NP)(H)2	P(CCHH)3(NC)	123.7620	0.000	1	123.7620	0.000	1	123.7620	0.000	1	123.7620	0.000	1	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	3:2:2:1:	3:3:2:1:	C-4:P-4:	C[6a]-3:C-2:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:O-1:	N(CC[6a]CH)(PC[6a]2O)	C(C[6a]C[6a]2)(CN)(NP)(H)	P(C[6a]C[6a]2)2(NC)(O)	N(CC[6a]CH)(PC[6a]2O)	C(C[6a]C[6a]2)(CN)(NP)(H)	P(C[6a]C[6a]2)2(NC)(O)	126.9600	0.000	1	126.9600	0.000	1	126.9600	0.000	1	126.9600	0.000	1	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	3:4:2:1:	3:3:2:1:	C-4:P-4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:O-1:	N(CC[6a]CH)(PC[6a]2O)	C(C[6a]C[6a,6a]C[6a])(CH3)(NP)(H)	P(C[6a]C[6a]2)2(NC)(O)	N(CC[6a]CH)(PC[6a]2O)	C(C[6a]C[6a,6a]C[6a])(CH3)(NP)(H)	P(C[6a]C[6a]2)2(NC)(O)	121.7040	1.718	2	121.7040	2.952	2	121.3357	1.883	3	121.6652	1.148	5	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	3:4:2:1:	3:3:2:1:	C-4:P-4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:O-1:	N(CC[6a]CH)(PC[6a]2O)	C(C[6a]C[6a]2)(CC[6a]HN)(NP)(H)	P(C[6a]C[6a]2)2(NC)(O)	N(CC[6a]CH)(PC[6a]2O)	C(C[6a]C[6a]2)(CC[6a]HN)(NP)(H)	P(C[6a]C[6a]2)2(NC)(O)	120.5990	0.000	1	120.5990	0.000	1	121.3357	1.883	3	121.6652	1.148	5	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	3:4:2:1:	3:3:2:1:	P-4:C-4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6]-3:N-2:O-1:	N(PC[6a]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(NP)(H)	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)(O)	N(PC[6a]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(NP)(H)	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)(O)	122.1595	0.111	2	122.1595	0.012	2	122.1595	0.012	2	121.6652	1.148	5	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	3:4:2:1:	3:3:3:2:	C-4:P-4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:N-2:	N(CC[6a]CH)(PC[6a]2N)	C(C[6a]C[6a]2)(CH3)(NP)(H)	P(C[6a]C[6a]2)2(NCH)(NC)	N(CC[6a]CH)(PC[6a]2N)	C(C[6a]C[6a]2)(CH3)(NP)(H)	P(C[6a]C[6a]2)2(NCH)(NC)	124.0902	2.343	4	124.0902	5.490	4	124.0902	5.490	4	124.0902	5.490	4	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	4:2:1:1:	3:2:1:1:	P-4:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:S-1:S-1:	N(PC[6a]SS)(CCHH)	C(CHHN)(NP)(H)2	P(C[6a]C[6a]2)(NC)(S)2	N(PC[6a]SS)(CCHH)	C(CHHN)(NP)(H)2	P(C[6a]C[6a]2)(NC)(S)2	125.2610	0.000	1	125.2610	0.000	1	125.2610	0.000	1	125.2610	0.000	1	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	4:2:1:1:	3:3:3:2:	P-4:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(CCHH)	C(CCHN)(NP)(H)2	P(C[6a]C[6a]2)3(NC)	N(PC[6a]3)(CCHH)	C(CCHN)(NP)(H)2	P(C[6a]C[6a]2)3(NC)	116.0115	0.551	2	116.0115	0.303	2	116.9907	3.028	3	116.9907	3.028	3	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	4:2:1:1:	3:3:3:2:	P-4:C-4:	C-4:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(CCHH)	C(CC[6a]HN)(NP)(H)2	P(C[6a]C[6a]2)3(NC)	N(PC[6a]3)(CCHH)	C(CC[6a]HN)(NP)(H)2	P(C[6a]C[6a]2)3(NC)	118.9490	0.000	1	118.9490	0.000	1	116.9907	3.028	3	116.9907	3.028	3	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	4:3:2:1:	2:2:2:1:	C-4:P-4:	C-4:C-3:N-2:H-1:	N-2:O-2:O-2:O-1:	N(CCCH)(PO3)	C(CH3)(COO)(NP)(H)	P(NC)(OC)2(O)	N(CCCH)(PO3)	C(CH3)(COO)(NP)(H)	P(NC)(OC)2(O)	124.3670	0.000	1	124.3670	0.000	1	124.3670	0.000	1	123.0320	1.599	3	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	4:3:2:1:	2:2:2:1:	C-4:P-4:	C-4:C-3:N-2:H-1:	O-2:O-2:N-2:O-1:	N(CCCH)(PO3)	C(CH3)(COO)(NP)(H)	P(OC[6a])2(NC)(O)	N(CCCH)(PO3)	C(CH3)(COO)(NP)(H)	P(OC[6a])2(NC)(O)	122.3645	0.725	2	122.3645	0.525	2	122.3645	0.525	2	123.0320	1.599	3	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	4:3:2:1:	2:2:3:2:	C-4:P-4:	C-4:C[6a]-3:N-2:H-1:	N-2:N-2:N-3:N-2:	N(CC[6a]CH)(PN3)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NP)(H)	P(NC[5])2(NCH)(NC)	N(CC[6a]CH)(PN3)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NP)(H)	P(NC[5])2(NCH)(NC)	120.7910	0.000	1	120.7910	0.000	1	120.7910	0.000	1	120.7910	0.000	1	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	4:3:3:2:	3:3:3:2:	C-4:P-4:	C[5]-4:C[6a]-3:C[6a]-3:N-2:	N-3:N-3:N-3:N-2:	N(CC[6a]2C[5])(PN3)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NP)	P(NCH)3(NC)	N(CC[6a]2C[5])(PN3)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NP)	P(NCH)3(NC)	131.5430	0.000	1	131.5430	0.000	1	131.5430	0.000	1	131.5430	0.000	1	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	4:3:4:2:	3:3:2:1:	C-4:P-4:	C[3]-4:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:N-2:O-1:	N(CC[6a]C[3]C)(PC[6a]2O)	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(CH3)(NP)	P(C[6a]C[6a]2)2(NC)(O)	N(CC[6a]C[3]C)(PC[6a]2O)	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(CH3)(NP)	P(C[6a]C[6a]2)2(NC)(O)	125.7380	0.000	1	125.7380	0.000	1	125.7380	0.000	1	125.7380	0.000	1	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	4:4:2:1:	3:3:2:1:	P-4:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:O-1:	N(PC[6a]2O)(CCCH)	C(CSiCC)(CCHH)(NP)(H)	P(C[6a]C[6a]2)2(NC)(O)	N(PC[6a]2O)(CCCH)	C(CSiCC)(CCHH)(NP)(H)	P(C[6a]C[6a]2)2(NC)(O)	126.5450	0.000	1	126.5450	0.000	1	126.5450	0.000	1	126.5450	0.000	1	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	4:4:2:1:	3:3:2:2:	P-4:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:O-2:N-2:	N(PC[6a]2O)(CCCH)	C(CC3)(CH3)(NP)(H)	P(C[6a]C[6a]2)2(OSn)(NC)	N(PC[6a]2O)(CCCH)	C(CC3)(CH3)(NP)(H)	P(C[6a]C[6a]2)2(OSn)(NC)	124.7210	0.000	1	124.7210	0.000	1	124.7210	0.000	1	124.7210	0.000	1	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	4:4:2:1:	3:3:3:2:	P-4:C-4:	C-4:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:N-2:	N(PC[6a]2C)(CCCH)	C(CH3)2(NP)(H)	P(C[6a]C[6a]2)2(CHP)(NC)	N(PC[6a]2C)(CCCH)	C(CH3)2(NP)(H)	P(C[6a]C[6a]2)2(CHP)(NC)	123.0580	0.000	1	123.0580	0.000	1	123.0580	0.000	1	123.0580	0.000	1	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	4:4:2:1:	4:3:2:1:	C-4:P-4:	C-4:C-4:N-2:H-1:	C-4:N-3:N-2:O-1:	N(CCCH)(PCNO)	C(CH3)2(NP)(H)	P(CC3)(NCH)(NC)(O)	N(CCCH)(PCNO)	C(CH3)2(NP)(H)	P(CC3)(NCH)(NC)(O)	124.8810	1.552	4	124.8810	2.407	4	124.8810	2.407	4	124.8810	2.407	4	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	4:4:4:2:	2:2:2:2:	C-4:P-4:	C-4:C-4:C-4:N-2:	N-2:N-2:N-2:N-2:	N(CC3)(PN3)	C(CH3)3(NP)	P(NC)(NP)3	N(CC3)(PN3)	C(CH3)3(NP)	P(NC)(NP)3	127.4540	0.000	1	127.4540	0.000	1	129.3260	3.907	3	129.3260	3.907	3	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	4:4:4:2:	2:2:2:2:	C-4:P-4:	C-4:C-4:C-4:N-2:	N-2:N-2:N-2:N-2:	N(CC3)(PN3)	C(CH3)3(NP)	P(NC)4	N(CC3)(PN3)	C(CH3)3(NP)	P(NC)4	130.2620	1.599	2	130.2620	2.558	2	129.3260	3.907	3	129.3260	3.907	3	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	4:4:4:2:	3:2:2:1:	P-4:C-4:	C-4:C-4:C-4:N-2:	N-3:N-2:N-2:O-1:	N(PNNO)(CC3)	C(CH3)3(NP)	P(NCH)(NC)2(O)	N(PNNO)(CC3)	C(CH3)3(NP)	P(NCH)(NC)2(O)	128.9755	1.565	2	128.9755	2.449	2	128.9755	2.449	2	128.9755	2.449	2	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	4:4:4:2:	3:3:3:2:	P-4:C-4:	C-4:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:N-2:	N(PC[6a]2C)(CC3)	C(CH3)3(NP)	P(C[6a]C[6a]2)2(CC[6a]C)(NC)	N(PC[6a]2C)(CC3)	C(CH3)3(NP)	P(C[6a]C[6a]2)2(CC[6a]C)(NC)	136.3810	0.000	1	136.3810	0.000	1	136.3810	0.000	1	132.8800	17.204	3	124.4047	19.325	43	124.4047	19.325	43
941	490	992	0:SP2_SP3_SP3	N	C	P	4:4:	4:4:4:2:	3:3:3:2:	P-4:C-4:	C-4:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(CC3)	C(CH3)3(NP)	P(C[6a]C[6a]2)3(NC)	N(PC[6a]3)(CC3)	C(CH3)3(NP)	P(C[6a]C[6a]2)3(NC)	131.1295	4.003	2	131.1295	16.023	2	131.1295	16.023	2	132.8800	17.204	3	124.4047	19.325	43	124.4047	19.325	43
941	510	643	0:SP2_SP2_SP2	N	B	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:B-2:	N[6]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(BN[6])	B(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]2)2(NB)	N(C[6a]C[6a]2)(BN[6])	B(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]2)2(NB){2|H<1>,5|C<3>}	171.6630	0.000	1	171.6630	0.000	1	167.4780	35.028	2	167.4780	35.028	2	167.4780	35.028	2	167.4780	35.028	2
941	510	643	0:SP2_SP2_SP2	N	B	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:B-2:	N[6]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(BN[6])	B(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]C)2(NB)	N(C[6a]C[6a]2)(BN[6])	B(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]C)2(NB){1|C<3>,2|H<1>}	163.2930	0.000	1	163.2930	0.000	1	167.4780	35.028	2	167.4780	35.028	2	167.4780	35.028	2	167.4780	35.028	2
941	530	951	0:SP2_SP-NON_SPD6	N	Ga	H	6:1:	4:3:3:2:2:1:	2:	Ga-6:H-1:	N-4:N-3:N-3:N-2:N-2:Cl-1:	N-2:	N(GaClN4)(H)	Ga(NH3)(NHH)2(NH)2(Cl)	H(NGa)	N(GaClN4)(H)	Ga(NH3)(NHH)2(NH)2(Cl)	H(NGa)	111.4495	1.317	2	111.4495	1.735	2	111.4495	1.735	2	111.4495	1.735	2	111.4495	1.735	2	111.4495	1.735	2
941	530	983	0:SP2_SP1_SPD6	N	Ga	C	6:2:	3:3:2:2:2:2:	2:1:	Ga-6:C-2:	N[6]-3:N[6]-3:N-2:N-2:N-2:N-2:	N-2:S-1:	N(GaN[6]2N3)(CS)	Ga(N[6]C[6]2)2(NC)4	C(NGa)(S)	N(GaN[6]2N3)(CS)	Ga(N[6]C[6]2)2(NC)4	C(NGa)(S)	169.7383	4.068	6	169.7383	16.549	6	169.7383	16.549	6	169.7383	16.549	6	169.7383	16.549	6	169.7383	16.549	6
941	542	762	0:SP2_SP2_SP2	N	N[5]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:N[5]-3:	C[5]-3:C[5]-3:N-2:	C[6,6a]-3:O[6]-2:N-2:	N(C[6]C[6,6a]O[6])(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN[5])	N(C[6]C[6,6a]O[6])(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(NC[6]){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN[5]){2|C<3>,2|C<4>,2|H<1>}	113.2910	0.000	1	113.2910	0.000	1	113.2910	0.000	1	113.2910	0.000	1	114.8285	4.728	2	114.8285	4.728	2
941	542	762	0:SP2_SP2_SP2	N	N[5]	C[6]	3:3:	4:4:2:	3:4:2:	C[6]-3:N[5]-3:	C[5]-4:C[5]-4:N-2:	C[6,6a]-3:C[6]-4:N-2:	N(C[6]C[6,6a]C[6])(N[5]C[5]2)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN[5])	N(C[6]C[6,6a]C[6])(N[5]C[5]2)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6]){4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN[5]){1|H<1>,2|C<3>,3|C<4>}	116.3660	0.000	1	116.3660	0.000	1	116.3660	0.000	1	116.3660	0.000	1	114.8285	4.728	2	114.8285	4.728	2
941	542	762	0:SP2_SP2_SP3	N	N[5]	C[6,6]	3:3:	4:4:2:	4:4:2:	C[6,6]-3:N[5]-3:	C[5]-4:C[5]-4:N-2:	C[6,6]-4:C[6,6]-4:N-2:	N(C[6,6]C[6,6]2)(N[5]C[5]2)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])	C[6,6](C[6,6]C[6]2H)2(NN[5])	N(C[6,6]C[6,6]2)(N[5]C[5]2)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6]){4|H<1>}	C[6,6](C[6,6]C[6]2H)2(NN[5]){1|C<3>,2|C<4>,7|H<1>}	114.9810	0.000	1	114.9810	0.000	1	114.9810	0.000	1	114.9810	0.000	1	114.9810	0.000	1	115.2876	2.163	7
941	542	762	0:SP2_SP2_SP3	N	N[5]	C[6]	3:3:	4:3:2:	4:3:2:	C[6]-3:N[5]-3:	C[5]-4:C[5]-3:N-2:	C[6]-4:C[6]-3:N-2:	N(C[6]C[6]2)(N[5]C[5]2)	N[5](C[5]C[5]CH)(C[5]O[5]O)(NC[6])	C[6](C[6]C[6]CH)(C[6]C[6]C)(NN[5])	N(C[6]C[6]2)(N[5]C[5]2)	N[5](C[5]C[5]CH)(C[5]O[5]O)(NC[6]){2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(NN[5]){1|C<4>,3|H<1>}	115.2860	0.000	1	115.2860	0.000	1	115.2860	0.000	1	115.2860	0.000	1	115.3387	2.574	6	115.2876	2.163	7
941	542	762	0:SP2_SP2_SP3	N	N[5]	C[6]	3:3:	4:3:2:	4:4:2:	N[5]-3:C[6]-3:	C[3x5,6]-4:C[5]-3:N-2:	C[6]-4:C[6]-4:N-2:	N(N[5]C[3x5,6]C[5])(C[6]C[6]2)	N[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]O[5]O)(NC[6])	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NN[5])	N(N[5]C[3x5,6]C[5])(C[6]C[6]2)	N[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]O[5]O)(NC[6]){3|H<1>,5|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NN[5]){1|C<4>,4|H<1>}	114.4450	1.097	3	114.4450	1.204	3	114.4450	1.204	3	114.4450	1.204	3	115.3387	2.574	6	115.2876	2.163	7
941	542	762	0:SP2_SP2_SP3	N	N[5]	C[6]	3:3:	4:4:2:	4:3:2:	C[6]-3:N[5]-3:	C[5]-4:C[5]-4:N-2:	C[6]-4:C[6]-3:N-2:	N(C[6]C[6]2)(N[5]C[5]2)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6])	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NN[5])	N(C[6]C[6]2)(N[5]C[5]2)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6]){4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NN[5]){1|C<4>,1|H<1>,2|N<3>}	116.7055	2.080	2	116.7055	4.325	2	116.7055	4.325	2	116.7055	4.325	2	115.3387	2.574	6	115.2876	2.163	7
941	542	818	0:SP2_SP2_SP2	N	N[5]	C[5]	3:3:	4:4:2:	4:4:2:	C[5]-3:N[5]-3:	C[5]-4:C[5]-4:N-2:	C[5]-4:C[5]-4:N-2:	N(C[5]C[5]2)(N[5]C[5]2)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[5])	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(NN[5])	N(C[5]C[5]2)(N[5]C[5]2)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[5]){4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(NN[5]){2|C<4>,2|H<1>}	120.3820	0.000	1	120.3820	0.000	1	120.3820	0.000	1	120.3820	0.000	1	120.3820	0.000	1	120.3820	0.000	1
941	542	846	0:SP2_SP2_SP2	N	N[5]	C[4]	3:3:	3:3:2:	4:4:2:	C[4]-3:N[5]-3:	C[5]-3:C[5]-3:N-2:	C[4]-4:C[4]-4:N-2:	N(C[4]C[4]2)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(NC[4])	C[4](C[4]C[6a]2C[4])(C[4]C[4]HH)(NN[5])	N(C[4]C[4]2)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(NC[4]){2|C<3>}	C[4](C[4]C[6a]2C[4])(C[4]C[4]HH)(NN[5]){2|H<1>,4|C<3>}	113.1560	0.000	1	113.1560	0.000	1	113.1560	0.000	1	113.1560	0.000	1	113.1560	0.000	1	113.1560	0.000	1
941	542	863	0:SP2_SP2_SP2	N	N[5]	O	3:1:	3:4:2:	2:	N[5]-3:O-1:	C[5,5a]-3:C[5]-4:N-2:	N-2:	N(N[5]C[5,5a]C[5])(O)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(NO)	O(NN[5])	N(N[5]C[5,5a]C[5])(O)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(NO){2|H<1>,2|N<2>}	O(NN[5])	112.6790	0.000	1	112.6790	0.000	1	112.6790	0.000	1	112.8183	2.022	3	112.8596	1.085	5	112.8596	1.085	5
941	542	863	0:SP2_SP2_SP2	N	N[5]	O	3:1:	3:4:2:	2:	N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:N-2:	N-2:	N(N[5]C[5,6a]C[5,5])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(NO)	O(NN[5])	N(N[5]C[5,6a]C[5,5])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(NO){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	O(NN[5])	112.8880	2.004	2	112.8880	4.016	2	112.8880	4.016	2	112.8183	2.022	3	112.8596	1.085	5	112.8596	1.085	5
941	542	863	0:SP2_SP2_SP2	N	N[5]	O	3:1:	4:3:2:	2:	N[5]-3:O-1:	C[5]-4:C[5]-3:N-2:	N-2:	N(N[5]C[5]2)(O)	N[5](C[5]C[5]HH)(C[5]N[5]C)(NO)	O(NN[5])	N(N[5]C[5]2)(O)	N[5](C[5]C[5]HH)(C[5]N[5]C)(NO){2|H<1>}	O(NN[5])	112.9215	0.532	2	112.9215	0.284	2	112.9215	0.284	2	112.9215	0.284	2	112.8596	1.085	5	112.8596	1.085	5
941	542	899	0:SP2_SP-NON_SP3	N	N[5,5]	C	3:1:	4:4:2:	2:	N[5,5]-3:C-1:	C[5,5,6]-4:C[5,5,6]-4:N-2:	N-2:	N(N[5,5]C[5,5,6]2)(C)	N[5,5](C[5,5,6]C[5,6,6a]2H)2(NC)	C(NN[5,5])	N(N[5,5]C[5,5,6]2)(C)	N[5,5](C[5,5,6]C[5,6,6a]2H)2(NC){4|C<3>}	C(NN[5,5])	173.2970	0.000	1	173.2970	0.000	1	173.2970	0.000	1	173.2970	0.000	1	173.2970	0.000	1	173.2970	0.000	1
941	542	901	0:SP2_SP1_SP2	N	N[5]	N	3:1:	4:4:2:	2:	N[5]-3:N-1:	B[5,5]-4:B[5,5]-4:N-2:	N-2:	N(N[5]B[5,5]2)(N)	N[5](B[5,5]C[5,6a]3)2(NN)	N(NN[5])	N(N[5]B[5,5]2)(N)	N[5](B[5,5]C[5,6a]3)2(NN){10|C<3>}	N(NN[5])	175.8330	0.000	1	175.8330	0.000	1	175.8330	0.000	1	175.8330	0.000	1	175.8330	0.000	1	175.8330	0.000	1
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	2:3:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	N-2:C-3:H-1:	N(N[5]C[5]2)(CCH)	N[5](C[5]C[5,6a]O)2(NC)	C(NN[5])(CCH)(H)	N(N[5]C[5]2)(CCH)	N[5](C[5]C[5,6a]O)2(NC){2|C<3>}	C(NN[5])(CCH)(H)	118.9058	1.007	6	118.9058	1.013	6	118.0353	3.165	10	117.3839	3.554	14	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	2:3:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	N-2:C-3:H-1:	N(N[5]C[5]2)(CCH)	N[5](C[5]N[5]C)(C[5]N[5]S)(NC)	C(NN[5])(CCH)(H)	N(N[5]C[5]2)(CCH)	N[5](C[5]N[5]C)(C[5]N[5]S)(NC){1|H<1>}	C(NN[5])(CCH)(H)	116.1950	3.152	2	116.1950	9.937	2	118.0353	3.165	10	117.3839	3.554	14	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	2:3:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	N-2:C-3:H-1:	N(N[5]C[5]2)(CCH)	N[5](C[5]N[5]H)(C[5]N[5]S)(NC)	C(NN[5])(CCH)(H)	N(N[5]C[5]2)(CCH)	N[5](C[5]N[5]H)(C[5]N[5]S)(NC){1|H<1>}	C(NN[5])(CCH)(H)	117.2640	0.984	2	117.2640	0.969	2	118.0353	3.165	10	117.3839	3.554	14	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	2:3:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	N-2:N-3:H-1:	N(N[5]C[5]2)(CHN)	N[5](C[5]N[5]Fe)(C[5]N[5]H)(NC)	C(NN[5])(NFeN)(H)	N(N[5]C[5]2)(CHN)	N[5](C[5]N[5]Fe)(C[5]N[5]H)(NC){1|C<4>}	C(NN[5])(NFeN)(H)	115.7553	0.978	4	115.7553	0.957	4	115.7553	0.957	4	117.3839	3.554	14	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	2:4:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	N-2:C-4:O-1:	N(N[5]C[5]2)(CCO)	N[5](C[5]C[5]H)(C[5]N[5]I)(NC)	C(NN[5])(CF3)(O)	N(N[5]C[5]2)(CCO)	N[5](C[5]C[5]H)(C[5]N[5]I)(NC){1|C<4>,1|H<1>}	C(NN[5])(CF3)(O)	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	2:4:2:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	N-2:C-4:O-2:	N(N[5]C[5]2)(CCO)	N[5](C[5]C[5]O)(C[5]N[5]C)(NC)	C(NN[5])(CCHH)(OC)	N(N[5]C[5]2)(CCO)	N[5](C[5]C[5]O)(C[5]N[5]C)(NC){1|C<4>,1|H<1>}	C(NN[5])(CCHH)(OC)	113.1950	0.000	1	113.1950	0.000	1	114.5727	1.427	3	114.5727	1.427	3	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	2:4:2:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	N-2:C-4:O-2:	N(N[5]C[5]2)(CCO)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(NC)	C(NN[5])(CF3)(ONi)	N(N[5]C[5]2)(CCO)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(NC){1|C<3>,1|H<1>}	C(NN[5])(CF3)(ONi)	115.2615	0.087	2	115.2615	0.008	2	114.5727	1.427	3	114.5727	1.427	3	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	2:4:4:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	N-2:C-4:C-4:	N(N[5]C[5]2)(CCC)	N[5](C[5]N[5]C)(C[5]N[5]S)(NC)	C(NN[5])(CH3)2	N(N[5]C[5]2)(CCC)	N[5](C[5]N[5]C)(C[5]N[5]S)(NC){1|H<1>}	C(NN[5])(CH3)2	114.3230	0.000	1	114.3230	0.000	1	114.3230	0.000	1	114.3230	0.000	1	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5,6a]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5,6a]C[5])(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5,6a]C[5])(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NN[5])(H)	121.7060	0.000	1	121.7060	0.000	1	119.7280	7.825	2	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5,6a]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5,6a]C[5])(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5,6a]C[5])(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(NC){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NN[5])(H)	117.7500	0.000	1	117.7500	0.000	1	119.7280	7.825	2	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[5a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[5,6a]O)2(NC)	C(C[5a]C[5a]S[5a])(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[5,6a]O)2(NC){2|C<3>}	C(C[5a]C[5a]S[5a])(NN[5])(H)	118.7815	0.415	2	118.7815	0.172	2	115.3418	4.244	17	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[5a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[5]O)(C[5]N[5]O)(NC)	C(C[5a]C[5a]S[5a])(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[5]O)(C[5]N[5]O)(NC){1|H<1>,2|C<4>}	C(C[5a]C[5a]S[5a])(NN[5])(H)	116.2340	0.000	1	116.2340	0.000	1	115.3418	4.244	17	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[5a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC)	C(C[5a]C[5a]N[5a])(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC){1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(NN[5])(H)	113.0920	0.000	1	113.0920	0.000	1	115.3418	4.244	17	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[5a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC)	C(C[5a]C[5a]O[5a])(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC){1|H<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(NN[5])(H)	113.3630	0.000	1	113.3630	0.000	1	115.3418	4.244	17	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[5a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]N[5]C)(C[5]N[5]S)(NC)	C(C[5a]C[5a]O[5a])(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]N[5]C)(C[5]N[5]S)(NC){1|C<4>}	C(C[5a]C[5a]O[5a])(NN[5])(H)	117.2100	0.000	1	117.2100	0.000	1	115.3418	4.244	17	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[5a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]N[5]H)(C[5]N[5]S)(NC)	C(C[5a]C[5a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]N[5]H)(C[5]N[5]S)(NC){1|H<1>}	C(C[5a]C[5a]2)(NN[5])(H)	117.8000	0.000	1	117.8000	0.000	1	115.3418	4.244	17	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[5a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]N[5]H)2(NC)	C(C[5a]C[5a]O[5a])(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]N[5]H)2(NC){1|Fe<6>}	C(C[5a]C[5a]O[5a])(NN[5])(H)	114.1662	1.959	4	114.5548	2.063	10	115.3418	4.244	17	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[5a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]N[5]H)2(NC)	C(C[5a]C[5a]O[5a])(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]N[5]H)2(NC){2|Fe<6>}	C(C[5a]C[5a]O[5a])(NN[5])(H)	114.8138	1.100	6	114.5548	2.063	10	115.3418	4.244	17	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(NC){4|C<4>}	C(C[6a]C[6a]2)(NN[5])(H)	115.4683	2.218	3	115.4683	4.918	3	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5,6,6]O)2(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5,6,6]O)2(NC){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(NN[5])(H)	119.2580	0.188	2	119.2580	0.035	2	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5,6a]O)2(NC)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5,6a]O)2(NC){2|C<3>}	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	121.5615	0.234	2	121.5615	0.055	2	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5,6a]O)2(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5,6a]O)2(NC){2|C<3>}	C(C[6a]C[6a]2)(NN[5])(H)	119.7025	1.409	4	119.7025	1.986	4	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]O)(C[5]N[5]O)(NC)	C(C[6a]C[6a,6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]O)(C[5]N[5]O)(NC){1|H<1>,2|C<4>}	C(C[6a]C[6a,6a]2)(NN[5])(H)	115.6360	0.000	1	115.6360	0.000	1	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]O)(C[5]N[5]O)(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]O)(C[5]N[5]O)(NC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NN[5])(H)	120.2155	1.184	2	119.4698	1.662	4	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]O)(C[5]N[5]O)(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]O)(C[5]N[5]O)(NC){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(NN[5])(H)	118.7240	1.165	2	119.4698	1.662	4	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]O)(C[5]N[5]O)(NC)	C(C[6a]C[6a]N[6a])(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]O)(C[5]N[5]O)(NC){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NN[5])(H)	118.6630	0.000	1	118.6630	0.000	1	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]O)(C[5]S[5]S)(NC)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]O)(C[5]S[5]S)(NC){2|H<1>}	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	119.5645	1.729	2	119.5645	2.989	2	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]O)(C[5]S[5]S)(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]O)(C[5]S[5]S)(NC){2|H<1>}	C(C[6a]C[6a]2)(NN[5])(H)	120.3330	0.000	1	120.3330	0.000	1	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(NC){3|C<3>}	C(C[6a]C[6a]2)(NN[5])(H)	116.8780	2.085	2	116.8780	4.345	2	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NC)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NC){1|Fe<6>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	115.2448	1.482	6	115.2448	2.196	6	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC){1|C<4>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	116.3630	0.000	1	116.3630	0.000	1	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(NN[5])(H)	116.6923	2.775	6	116.0627	5.611	16	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NN[5])(H)	115.6849	2.157	10	116.0627	5.611	16	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]N[5]C)(C[5]N[5]S)(NC)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]N[5]C)(C[5]N[5]S)(NC){1|C<4>}	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	119.7830	0.000	1	119.7830	0.000	1	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]N[5]C)(C[5]N[5]S)(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]N[5]C)(C[5]N[5]S)(NC){1|C<4>}	C(C[6a]C[6a]2)(NN[5])(H)	118.7311	1.637	10	118.0054	4.327	53	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]N[5]C)(C[5]N[5]S)(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]N[5]C)(C[5]N[5]S)(NC){1|H<1>}	C(C[6a]C[6a]2)(NN[5])(H)	117.8367	2.151	43	118.0054	4.327	53	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]N[5]H)2(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]N[5]H)2(NC){1|Fe<6>}	C(C[6a]C[6a]2)(NN[5])(H)	114.0030	1.207	5	115.8801	2.119	23	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]N[5]H)2(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]N[5]H)2(NC){1|H<1>}	C(C[6a]C[6a]2)(NN[5])(H)	115.9257	0.926	12	115.8801	2.119	23	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]N[5]H)2(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]N[5]H)2(NC){2|Fe<6>}	C(C[6a]C[6a]2)(NN[5])(H)	117.3533	0.368	6	115.8801	2.119	23	117.3475	5.328	122	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:O-1:	N(N[5]C[5]2)(CC[6a]O)	N[5](C[5]C[5]H)(C[5]N[5]H)(NC)	C(C[6a]C[6a]2)(NN[5])(O)	N(N[5]C[5]2)(CC[6a]O)	N[5](C[5]C[5]H)(C[5]N[5]H)(NC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NN[5])(O)	113.7925	0.728	4	113.7925	0.530	4	113.5637	2.868	6	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:O-1:	N(N[5]C[5]2)(CC[6a]O)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(NC)	C(C[6a]C[6a]2)(NN[5])(O)	N(N[5]C[5]2)(CC[6a]O)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(NC){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NN[5])(O)	113.1060	3.482	2	113.1060	12.123	2	113.5637	2.868	6	116.9935	6.041	147	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:4:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:C-4:	N(N[5]C[5]2)(CC[6a]C)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC)	C(C[6a]C[6a]2)(NN[5])(CH3)	N(N[5]C[5]2)(CC[6a]C)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NN[5])(CH3)	114.9690	0.000	1	114.9690	0.000	1	114.9625	0.000	2	114.9625	0.000	2	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:3:2:	3:2:4:	N[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[6a]-3:N-2:C-4:	N(N[5]C[5]2)(CC[6a]C)	N[5](C[5]N[5]C)(C[5]N[5]S)(NC)	C(C[6a]C[6a]2)(NN[5])(CH3)	N(N[5]C[5]2)(CC[6a]C)	N[5](C[5]N[5]C)(C[5]N[5]S)(NC){1|H<1>}	C(C[6a]C[6a]2)(NN[5])(CH3)	114.9560	0.000	1	114.9560	0.000	1	114.9625	0.000	2	114.9625	0.000	2	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:4:2:	2:3:1:	N[5]-3:C-3:	C[5,6a]-3:C[5]-4:N-2:	N-2:C-3:H-1:	N(N[5]C[5,6a]C[5])(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC)	C(NN[5])(CHN)(H)	N(N[5]C[5,6a]C[5])(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC){2|C<3>,3|H<1>}	C(NN[5])(CHN)(H)	117.8170	0.109	2	117.8170	0.012	2	117.8170	0.012	2	117.8170	0.012	2	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:4:2:	3:2:1:	N[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5,6a]C[5,5])(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5,6a]C[5,5])(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(NC){1|H<1>,1|N<3>,1|S<1>,2|C<4>,3|C<3>}	C(C[6a]C[6a]2)(NN[5])(H)	119.7000	0.000	1	119.7000	0.000	1	119.7000	0.000	1	119.5275	0.060	2	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	3:4:2:	3:2:1:	N[5]-3:C-3:	C[5,6a]-3:C[5]-4:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5,6a]C[5])(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5,6a]C[5])(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC){2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(NN[5])(H)	119.3550	0.000	1	119.3550	0.000	1	119.3550	0.000	1	119.5275	0.060	2	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	2:3:1:	N[5]-3:C-3:	C[5,6]-4:C[5]-3:N-2:	N-2:C-3:H-1:	N(N[5]C[5,6]C[5])(CCH)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC)	C(NN[5])(CHO)(H)	N(N[5]C[5,6]C[5])(CCH)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC){6|C<3>}	C(NN[5])(CHO)(H)	120.7310	0.000	1	120.7310	0.000	1	120.7310	0.000	1	120.7310	0.000	1	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	2:4:4:	N[5]-3:C-3:	C[5,6]-4:C[5]-3:N-2:	N-2:C-4:C-4:	N(N[5]C[5,6]C[5])(CCC)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC)	C(NN[5])(CH3)2	N(N[5]C[5,6]C[5])(CCC)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC){6|C<3>}	C(NN[5])(CH3)2	116.6860	0.000	1	116.6860	0.000	1	116.6860	0.000	1	115.7450	1.771	2	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	2:4:4:	N[5]-3:C-3:	C[5]-4:C[5]-3:N-2:	N-2:C-4:C-4:	N(N[5]C[5]2)(CCC)	N[5](C[5]Si[5]HH)(C[5]O[5]C)(NC)	C(NN[5])(CH3)2	N(N[5]C[5]2)(CCC)	N[5](C[5]Si[5]HH)(C[5]O[5]C)(NC){1|Cl<1>,2|C<4>}	C(NN[5])(CH3)2	114.8040	0.000	1	114.8040	0.000	1	114.8040	0.000	1	115.7450	1.771	2	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:1:	N[5]-3:C-3:	C[5,6]-4:C[5]-3:N-2:	C[5a]-3:N-2:H-1:	N(N[5]C[5,6]C[5])(CC[5a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC)	C(C[5a]C[5a]O[5a])(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[5a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC){6|C<3>}	C(C[5a]C[5a]O[5a])(NN[5])(H)	120.6100	0.000	1	120.6100	0.000	1	120.3097	0.415	3	118.1895	3.372	58	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:1:	N[5]-3:C-3:	C[5,6]-4:C[5]-3:N-2:	C[5a]-3:N-2:H-1:	N(N[5]C[5,6]C[5])(CC[5a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC)	C(C[5a]C[5a]S[5a])(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[5a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC){6|C<3>}	C(C[5a]C[5a]S[5a])(NN[5])(H)	119.5700	0.000	1	119.5700	0.000	1	120.3097	0.415	3	118.1895	3.372	58	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:1:	N[5]-3:C-3:	C[5,6]-4:C[5]-3:N-2:	C[5a]-3:N-2:H-1:	N(N[5]C[5,6]C[5])(CC[5a]H)	N[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]O)(NC)	C(C[5a]C[5a]S[5a])(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[5a]H)	N[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]O)(NC){1|C<2>,5|C<3>}	C(C[5a]C[5a]S[5a])(NN[5])(H)	120.7490	0.000	1	120.7490	0.000	1	120.3097	0.415	3	118.1895	3.372	58	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:1:	N[5]-3:C-3:	C[5,6]-4:C[5]-3:N-2:	C[6]-3:N-2:H-1:	N(N[5]C[5,6]C[5])(CC[6]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC)	C(C[6]C[6]2)(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[6]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC){6|C<3>}	C(C[6]C[6]2)(NN[5])(H)	119.0670	1.812	2	119.0670	3.282	2	119.0670	3.282	2	118.1895	3.372	58	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:1:	N[5]-3:C-3:	C[5,6]-4:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5,6]C[5])(CC[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC){6|C<3>}	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	119.5132	1.031	4	119.5132	1.062	4	119.8030	1.746	18	118.1895	3.372	58	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:1:	N[5]-3:C-3:	C[5,6]-4:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5,6]C[5])(CC[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC){6|C<3>}	C(C[6a]C[6a]2)(NN[5])(H)	120.0488	1.330	13	120.0488	1.769	13	119.8030	1.746	18	118.1895	3.372	58	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:1:	N[5]-3:C-3:	C[5,6]-4:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5,6]C[5])(CC[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC)	C(C[6a]C[6a]N[6a])(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC){6|C<3>}	C(C[6a]C[6a]N[6a])(NN[5])(H)	117.7660	0.000	1	117.7660	0.000	1	119.8030	1.746	18	118.1895	3.372	58	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-4:C[5]-3:N-2:	C[5a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(NC)	C(C[5a]C[5a]O[5a])(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(NC){1|C<4>,1|O<1>}	C(C[5a]C[5a]O[5a])(NN[5])(H)	116.4260	0.000	1	116.4836	0.463	20	116.4836	0.463	20	118.1895	3.372	58	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-4:C[5]-3:N-2:	C[5a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(NC)	C(C[5a]C[5a]O[5a])(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(NC){1|H<1>,1|O<1>}	C(C[5a]C[5a]O[5a])(NN[5])(H)	116.4382	0.686	18	116.4836	0.463	20	116.4836	0.463	20	118.1895	3.372	58	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-4:C[5]-3:N-2:	C[5a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(NC)	C(C[5a]C[5a]O[5a])(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(NC){1|O<1>}	C(C[5a]C[5a]O[5a])(NN[5])(H)	117.3590	0.000	1	116.4836	0.463	20	116.4836	0.463	20	118.1895	3.372	58	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-4:C[5]-3:N-2:	C[5a]-3:N-2:O-1:	N(N[5]C[5]2)(CC[5a]O)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(NC)	C(C[5a]C[5a]O[5a])(NN[5])(O)	N(N[5]C[5]2)(CC[5a]O)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(NC){2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(NN[5])(O)	119.5790	0.000	1	119.5790	0.000	1	119.5790	0.000	1	118.1895	3.372	58	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-4:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(NC)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(NC){1|H<1>,1|O<1>}	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	116.5070	0.000	1	116.5070	0.000	1	117.9717	1.980	12	118.1895	3.372	58	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-4:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(NC)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(NC){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	119.6970	0.236	2	119.6970	0.056	2	117.9717	1.980	12	118.1895	3.372	58	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-4:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(NC){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NN[5])(H)	115.7005	0.095	2	115.7005	0.009	2	117.9717	1.980	12	118.1895	3.372	58	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-4:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]HH)(C[5]S[5]N)(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]HH)(C[5]S[5]N)(NC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NN[5])(H)	118.1790	0.561	3	118.1790	0.314	3	117.9717	1.980	12	118.1895	3.372	58	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-4:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(NC){1|S<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(NN[5])(H)	119.3660	0.000	1	119.3660	0.000	1	117.9717	1.980	12	118.1895	3.372	58	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-4:C[5]-3:N-2:	C[6a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(NC)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(NC){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NN[5])(H)	118.1517	0.500	3	118.1517	0.250	3	117.9717	1.980	12	118.1895	3.372	58	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-4:C[5]-3:N-2:	C[6a]-3:N-2:O-1:	N(N[5]C[5]2)(CC[6a]O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(NC)	C(C[6a]C[6a]2)(NN[5])(O)	N(N[5]C[5]2)(CC[6a]O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(NC){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(NN[5])(O)	118.6170	0.000	1	118.6170	0.000	1	118.6170	0.000	1	118.1895	3.372	58	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:1:	N[5]-3:C-3:	In[5]-4:C[5]-3:N-2:	N-3:N-2:S-1:	N(N[5]In[5]C[5])(CNS)	N[5](In[5]N[5,6]ClS)(C[5]C[5,6]C)(NC)	C(NC[6a]H)(NN[5])(S)	N(N[5]In[5]C[5])(CNS)	N[5](In[5]N[5,6]ClS)(C[5]C[5,6]C)(NC){2|C<3>}	C(NC[6a]H)(NN[5])(S)	115.9440	0.000	1	115.9440	0.000	1	115.9440	0.000	1	118.1895	3.372	58	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:4:	N[5]-3:C-3:	C[5,6]-4:C[5]-3:N-2:	C[6a]-3:N-2:C-4:	N(N[5]C[5,6]C[5])(CC[6a]C)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC)	C(C[6a]C[6a]2)(NN[5])(CH3)	N(N[5]C[5,6]C[5])(CC[6a]C)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC){6|C<3>}	C(C[6a]C[6a]2)(NN[5])(CH3)	117.1610	0.000	1	117.1610	0.000	1	117.3115	0.045	2	117.3115	0.045	2	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	3:2:4:	N[5]-3:C-3:	C[5,6]-4:C[5]-3:N-2:	C[6a]-3:N-2:C-4:	N(N[5]C[5,6]C[5])(CC[6a]C)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC)	C(C[6a]C[6a]N[6a])(NN[5])(CH3)	N(N[5]C[5,6]C[5])(CC[6a]C)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC){6|C<3>}	C(C[6a]C[6a]N[6a])(NN[5])(CH3)	117.4620	0.000	1	117.4620	0.000	1	117.3115	0.045	2	117.3115	0.045	2	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:3:2:	4:2:1:	N[5]-3:C-3:	C[5,6]-4:C[5]-3:N-2:	C[5]-4:N-2:H-1:	N(N[5]C[5,6]C[5])(CC[5]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC)	C(C[5]C[5]2Fe)(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[5]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC){6|C<3>}	C(C[5]C[5]2Fe)(NN[5])(H)	118.9840	0.000	1	118.9840	0.000	1	118.9840	0.000	1	118.9840	0.000	1	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:4:2:	2:4:4:	N[5]-3:C-3:	C[5]-4:C[5]-4:N-2:	N-2:C-4:C-4:	N(N[5]C[5]2)(CCC)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC)	C(NN[5])(CCCH)2	N(N[5]C[5]2)(CCC)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC){4|H<1>}	C(NN[5])(CCCH)2	116.9360	0.000	1	116.9360	0.000	1	116.9360	0.000	1	116.9360	0.000	1	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:4:2:	3:2:1:	N[5]-3:C-3:	C[5]-4:C[5]-4:N-2:	C[5a]-3:N-2:H-1:	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC)	C(C[5a]C[5a,6a]C[5a])(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC){4|H<1>}	C(C[5a]C[5a,6a]C[5a])(NN[5])(H)	118.2430	0.000	1	118.2430	0.000	1	118.2430	0.000	1	118.2430	0.000	1	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:	4:4:2:	4:2:1:	N[5]-3:C-3:	C[5]-4:C[5]-4:N-2:	C-4:N-2:H-1:	N(N[5]C[5]2)(CCH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC)	C(CC[6a]CC)(NN[5])(H)	N(N[5]C[5]2)(CCH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC){4|H<1>}	C(CC[6a]CC)(NN[5])(H)	118.0800	0.000	1	118.0800	0.000	1	118.0800	0.000	1	118.0800	0.000	1	117.2649	5.637	239	117.2649	5.637	239
941	542	930	0:SP2_SP2_SP3	N	N[5,5]	C	3:3:	4:4:2:	2:1:1:	N[5,5]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:N-2:	N-2:H-1:H-1:	N(N[5,5]C[5,5,6]2)(CHH)	N[5,5](C[5,5,6]C[5,6,6a]2H)2(NC)	C(NN[5,5])(H)2	N(N[5,5]C[5,5,6]2)(CHH)	N[5,5](C[5,5,6]C[5,6,6a]2H)2(NC){4|C<3>}	C(NN[5,5])(H)2	118.3140	0.000	1	118.3140	0.000	1	118.3140	0.000	1	118.3140	0.000	1	118.3140	0.000	1	117.7720	3.207	5
941	542	930	0:SP2_SP2_SP3	N	N[5]	C	3:3:	4:3:2:	2:4:4:	N[5]-3:C-3:	C[3x5,6]-4:C[5]-3:N-2:	N-2:C-4:C-4:	N(N[5]C[3x5,6]C[5])(CCC)	N[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]O[5]O)(NC)	C(NN[5])(CCCH)(CCHH)	N(N[5]C[3x5,6]C[5])(CCC)	N[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]O[5]O)(NC){3|H<1>,5|C<4>}	C(NN[5])(CCCH)(CCHH)	116.8085	0.620	2	116.8085	0.385	2	116.6403	0.277	3	116.6403	0.277	3	117.6365	4.154	4	117.7720	3.207	5
941	542	930	0:SP2_SP2_SP3	N	N[5]	C	3:3:	4:3:2:	2:4:4:	N[5]-3:C-3:	C[3x5,6]-4:C[5]-3:N-2:	N-2:C-4:C-4:	N(N[5]C[3x5,6]C[5])(CCC)	N[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]O[5]O)(NC)	C(NN[5])(CCCH)(CH3)	N(N[5]C[3x5,6]C[5])(CCC)	N[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]O[5]O)(NC){3|H<1>,5|C<4>}	C(NN[5])(CCCH)(CH3)	116.3040	0.000	1	116.3040	0.000	1	116.6403	0.277	3	116.6403	0.277	3	117.6365	4.154	4	117.7720	3.207	5
941	542	930	0:SP2_SP2_SP3	N	N[5]	C	3:3:	4:4:2:	2:4:1:	N[5]-3:C-3:	C[5]-4:C[5]-4:N-2:	N-2:C-4:H-1:	N(N[5]C[5]2)(CCH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC)	C(NN[5])(CCCH)(H)	N(N[5]C[5]2)(CCH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC){4|H<1>}	C(NN[5])(CCCH)(H)	120.6250	0.000	1	120.6250	0.000	1	120.6250	0.000	1	120.6250	0.000	1	117.6365	4.154	4	117.7720	3.207	5