856	762	927	0:SP2_SP2_SP2	N[6]	C[6]	B[6a]	3:3:3:	3:3:1:	2:2:3:	B[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	O[6a]-2:O[6a]-2:N[6]-3:	N[6](B[6a]O[6a]2)(C[6]C[6]H)2	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H)	B[6a](O[6a]B[6a])2(N[6]C[6]2)	N[6](B[6a]O[6a]2)(C[6]C[6]H)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|O<2>}	B[6a](O[6a]B[6a])2(N[6]C[6]2){1|O<2>,2|C<3>,2|H<1>,3|N<3>}	120.4869	1.663	8	120.4869	2.767	8	120.4869	2.767	8	120.4869	2.767	8	120.0116	2.379	12	120.0116	2.379	12
856	762	927	0:SP2_SP2_SP2	N[6]	C[6]	B[6a]	3:3:3:	3:3:4:	2:2:3:	B[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	O[6a]-2:O[6a]-2:N[6]-3:	N[6](B[6a]O[6a]2)(C[6]C[6]C)2	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(CH3)	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(N[6]C[6]2)	N[6](B[6a]O[6a]2)(C[6]C[6]C)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,3|O<2>}	119.0610	0.677	4	119.0610	0.458	4	119.0610	0.458	4	119.0610	0.458	4	120.0116	2.379	12	120.0116	2.379	12
856	762	928	6:SP2_SP2_SPD6	N[6]	C[6]	Si[5,6,6]	6:3:4:	3:3:3:	3:3:2:2:3:3:	Si[5,6,6]-6:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[5]-3:N[5]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:	N[6](Si[5,6,6]N[5]2N[6]O[6]2)(C[6]C[6,6a]C[6a])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[5,6,6]C)(C[6a]C[6a]2)	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2	N[6](Si[5,6,6]N[5]2N[6]O[6]2)(C[6]C[6,6a]C[6a])(CH3){3|C<4>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[5,6,6]C)(C[6a]C[6a]2){2|O<2>,3|H<1>,3|N<3>,4|C<3>}	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2{10|C<3>,4|H<1>}	123.5050	0.512	4	123.5050	0.262	4	123.5050	0.262	4	123.5050	0.262	4	123.5050	0.262	4	123.5050	0.262	4
856	762	930	0:SP2_SP2_SP2	N[6]	C[6,6]	C	3:4:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-4:C-3:	N[6,6]-3:N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]C)	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]O)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]C){3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H){2|C<4>,8|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]O)	122.6225	0.098	2	122.6225	0.010	2	122.6225	0.010	2	122.6225	0.010	2	122.9425	3.041	6	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6,6]	C	3:4:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C){1|N<3>,4|C<4>,5|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	120.2380	0.000	1	120.2380	0.000	1	120.2380	0.000	1	120.2380	0.000	1	122.9425	3.041	6	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6,6]	C	3:4:3:	3:4:3:	3:4:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCO)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C)	C(N[6]C[6,6]C[6])(CH3)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCO){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C){1|N<3>,4|C<4>,5|H<1>}	C(N[6]C[6,6]C[6])(CH3)(O)	122.4360	0.000	1	122.4360	0.000	1	122.4360	0.000	1	122.4360	0.000	1	122.9425	3.041	6	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6,6]	C	3:4:3:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-4:C-3:	C[5,5,6,6]-4:C[6]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]HH)(CCO)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[6]C[6,6]H)(N[6]C[6]C)	C(N[6]C[6,6]C[6])(CH3)(O)	N[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]HH)(CCO){3|H<1>,4|C<4>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[6]C[6,6]H)(N[6]C[6]C){1|N<3>,6|C<4>,6|H<1>}	C(N[6]C[6,6]C[6])(CH3)(O)	124.8680	0.049	2	124.8680	0.002	2	124.8680	0.002	2	124.8680	0.002	2	122.9425	3.041	6	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	2:3:3:	4:3:1:	3:2:1:	N[6]-2:C[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:O-2:O-1:	N[6](N[6]C[6,6])(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]C[6a]H)(N[6]N[6]C)(O)	C(N[6]C[6]N[6])(OC)(O)	N[6](N[6]C[6,6])(C[6]C[6]O)(COO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(N[6]N[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6]N[6])(OC)(O)	119.8470	0.000	1	119.8470	0.000	1	119.8470	0.000	1	119.8470	0.000	1	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:2:3:	3:2:4:	3:3:1:	C[6]-3:N[6]-2:C-3:	N[6]-3:N[6]-2:C-4:	N[6]-3:N-3:O-1:	N[6](C[6]N[6]C)(N[6]C[6])(CNO)	C[6](N[6]N[6]C)(N[6]N[6])(CCHH)	C(N[6]C[6]N[6])(NC[6a]H)(O)	N[6](C[6]N[6]C)(N[6]C[6])(CNO){1|C<4>,1|N<3>}	C[6](N[6]N[6]C)(N[6]N[6])(CCHH){2|C<3>}	C(N[6]C[6]N[6])(NC[6a]H)(O)	124.4345	0.135	2	124.4345	0.018	2	124.0336	1.659	14	123.6297	3.144	16	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:2:3:	3:2:4:	3:3:1:	C[6]-3:N[6]-2:C-3:	N[6]-3:N[6]-2:C-4:	N[6]-3:N-3:O-1:	N[6](C[6]N[6]C)(N[6]C[6])(CNO)	C[6](N[6]N[6]C)(N[6]N[6])(CH3)	C(N[6]C[6]N[6])(NCH)(O)	N[6](C[6]N[6]C)(N[6]C[6])(CNO){1|C<4>,1|N<3>}	C[6](N[6]N[6]C)(N[6]N[6])(CH3){2|C<3>}	C(N[6]C[6]N[6])(NCH)(O)	125.0360	0.729	6	125.0360	0.532	6	124.0336	1.659	14	123.6297	3.144	16	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:2:3:	3:2:4:	3:3:1:	C[6]-3:N[6]-2:C-3:	N[6]-3:N[6]-2:C-4:	N[6]-3:N-3:O-1:	N[6](C[6]N[6]C)(N[6]C[6])(CNO)	C[6](N[6]N[6]C)(N[6]N[6])(CH3)	C(N[6]C[6]N[6])(NC[6a]H)(O)	N[6](C[6]N[6]C)(N[6]C[6])(CNO){1|C<3>,1|N<2>}	C[6](N[6]N[6]C)(N[6]N[6])(CH3){1|C<3>}	C(N[6]C[6]N[6])(NC[6a]H)(O)	121.6590	0.000	2	122.8977	0.959	6	124.0336	1.659	14	123.6297	3.144	16	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:2:3:	3:2:4:	3:3:1:	C[6]-3:N[6]-2:C-3:	N[6]-3:N[6]-2:C-4:	N[6]-3:N-3:O-1:	N[6](C[6]N[6]C)(N[6]C[6])(CNO)	C[6](N[6]N[6]C)(N[6]N[6])(CH3)	C(N[6]C[6]N[6])(NC[6a]H)(O)	N[6](C[6]N[6]C)(N[6]C[6])(CNO){1|C<4>,1|N<3>}	C[6](N[6]N[6]C)(N[6]N[6])(CH3){2|C<3>}	C(N[6]C[6]N[6])(NC[6a]H)(O)	123.5170	0.253	4	122.8977	0.959	6	124.0336	1.659	14	123.6297	3.144	16	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:2:3:	3:2:4:	3:3:1:	C[6]-3:N[6]-2:C-3:	N[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]C)(N[6]C[6])(CN[6]O)	C[6](N[6]N[6]C)(N[6]N[6])(CH3)	C(N[6]C[6]N[6])(N[6]C[6]2)(O)	N[6](C[6]N[6]C)(N[6]C[6])(CN[6]O){1|C<4>,1|N<3>}	C[6](N[6]N[6]C)(N[6]N[6])(CH3){2|C<3>}	C(N[6]C[6]N[6])(N[6]C[6]2)(O)	120.8020	2.705	2	120.8020	7.319	2	120.8020	7.319	2	123.6297	3.144	16	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:2:3:	3:3:2:	3:2:1:	C[6]-3:N[6]-2:C-3:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]N[6])(N[6]C[6])(COO)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6a]N[6])(N[6]C[6])(COO){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){3|C<3>,3|H<1>}	C(N[6]C[6]N[6])(OC)(O)	128.5985	1.329	2	128.5985	1.765	2	128.5985	1.765	2	128.5985	1.765	2	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:2:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-2:C-3:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:C[6a]-3:O-1:	N[6](C[6]C[6a]N[6])(N[6]C[6])(CC[6a]O)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	N[6](C[6]C[6a]N[6])(N[6]C[6])(CC[6a]O){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){3|C<3>,3|H<1>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	122.4870	0.000	1	122.4870	0.000	1	122.4870	0.000	1	123.9615	4.348	2	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:2:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-2:C-3:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:N-3:O-1:	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	C(N[6]C[6]N[6])(NCH)(O)	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){2|H<1>,4|C<3>}	C(N[6]C[6]N[6])(NCH)(O)	125.4360	0.000	1	125.4360	0.000	1	125.4360	0.000	1	123.9615	4.348	2	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-2:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CN[6]H)	C[6](N[6]C[6]C)(C[6]C[6])(H)	C(N[6]C[6]2)2(H)	N[6](C[6]C[6]H)2(CN[6]H){1|C<3>,1|H<1>}	C[6](N[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C(N[6]C[6]2)2(H)	119.9380	0.000	1	119.9380	0.000	1	119.9380	0.000	1	119.9380	0.000	1	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:2:1:	3:4:1:	C[6]-3:N[6]-3:C-3:	N[6]-3:O[6]-2:O-1:	N[6]-3:C-4:O-1:	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO)	C[6](N[6]N[6]C)(O[6]C[6])(O)	C(N[6]C[6]N[6])(CC3)(O)	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO){1|H<1>,2|C<4>}	C[6](N[6]N[6]C)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	C(N[6]C[6]N[6])(CC3)(O)	120.3220	0.000	1	120.3220	0.000	1	121.8475	1.345	4	121.8475	1.345	4	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:2:1:	3:4:1:	C[6]-3:N[6]-3:C-3:	N[6]-3:O[6]-2:O-1:	N[6]-3:C-4:O-1:	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO)	C[6](N[6]N[6]C)(O[6]C[6])(O)	C(N[6]C[6]N[6])(CCHH)(O)	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO){1|H<1>,2|C<4>}	C[6](N[6]N[6]C)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	C(N[6]C[6]N[6])(CCHH)(O)	122.4935	0.904	2	122.4935	0.818	2	121.8475	1.345	4	121.8475	1.345	4	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:2:1:	3:4:1:	C[6]-3:N[6]-3:C-3:	N[6]-3:O[6]-2:O-1:	N[6]-3:C-4:O-1:	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO)	C[6](N[6]N[6]C)(O[6]C[6])(O)	C(N[6]C[6]N[6])(CClHH)(O)	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]N[6]C)(O[6]C[6])(O){2|C<4>,2|H<1>}	C(N[6]C[6]N[6])(CClHH)(O)	122.0810	0.000	1	122.0810	0.000	1	121.8475	1.345	4	121.8475	1.345	4	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH)	C[6](N[6]C[6,6a]C)(C[6]N[6]H)(H)	C(N[6]C[6,6a]C[6])(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH){1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]N[6]H)(H){2|C<3>}	C(N[6]C[6,6a]C[6])(H)2	120.0480	0.000	1	120.0480	0.000	1	120.0480	0.000	1	120.0480	0.000	1	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]O[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|O<2>,2|H<1>}	C[6](C[6]O[6]H)(N[6]C[6]C)(H){2|C<3>}	C(N[6]C[6]2)(OC)(O)	117.9830	0.000	1	117.9830	0.000	1	120.7412	9.209	9	121.0264	8.999	10	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]H)2(COO){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	117.6200	0.000	1	117.6200	0.000	1	120.7412	9.209	9	121.0264	8.999	10	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]H)2(COO){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	123.7170	0.000	1	121.7123	11.331	3	120.7412	9.209	9	121.0264	8.999	10	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]H)2(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C(N[6]C[6]2)(OC)(O)	120.7100	4.079	2	121.7123	11.331	3	120.7412	9.209	9	121.0264	8.999	10	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6]H)2(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(N[6]C[6]2)(OC[6])(O)	120.3470	3.462	2	120.3470	11.985	2	120.7412	9.209	9	121.0264	8.999	10	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]H)2(COO)	C[6](C[6]O[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]H)2(COO){1|O<2>,2|H<1>}	C[6](C[6]O[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C(N[6]C[6]2)(OC)(O)	122.6185	3.389	2	122.6185	11.486	2	120.7412	9.209	9	121.0264	8.999	10	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]H)(N[6]C[6]C)(COO)	C[6](C[6]C[6]Br)(N[6]N[6]C)(H)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]H)(N[6]C[6]C)(COO){2|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	C(N[6]C[6]N[6])(OC)(O)	123.5930	0.000	1	123.5930	0.000	1	123.5930	0.000	1	121.0264	8.999	10	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:N-2:	N[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OMg)(NC)	N[6](C[6]C[6]H)2(CNO){3|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	C(N[6]C[6]2)(OMg)(NC)	121.3700	1.069	2	121.3700	1.143	2	121.3700	1.143	2	121.3700	1.143	2	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:N-2:C-4:	N[6](C[6]C[6]H)2(CCN)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(NC[6a])(CC3)	N[6](C[6]C[6]H)2(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(N[6]C[6]2)(NC[6a])(CC3)	120.6335	1.809	2	120.6335	3.274	2	120.6335	3.274	2	120.6335	3.274	2	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CC[6a]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]O)2(CC[6a]O){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	116.4210	0.874	2	116.4210	0.764	2	116.4210	0.764	2	119.4596	4.168	10	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]H)2(CC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(H)	119.6430	0.373	2	119.6430	0.139	2	119.6430	0.139	2	119.4596	4.168	10	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:H-1:	N[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6]H)2(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CC[6a]O)(H)	120.7355	2.727	2	120.7355	7.438	2	121.1883	4.334	3	119.4596	4.168	10	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:H-1:	N[6](C[6]C[6]Ru)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CC[6a]Ru)(H)	N[6](C[6]C[6]Ru)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	C(N[6]C[6]2)(CC[6a]Ru)(H)	122.0940	0.000	1	122.0940	0.000	1	121.1883	4.334	3	119.4596	4.168	10	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CN[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)2(H)	N[6](C[6]C[6]H)2(CN[6]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,2|H<1>}	C(N[6]C[6]2)2(H)	120.1180	0.000	1	119.6343	0.176	3	119.6343	0.176	3	119.4596	4.168	10	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CN[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)2(H)	N[6](C[6]C[6]H)2(CN[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(N[6]C[6]2)2(H)	119.3925	0.022	2	119.6343	0.176	3	119.6343	0.176	3	119.4596	4.168	10	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)2(CC[6a]N)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	N[6](C[6]C[6]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	120.5035	1.230	2	120.5035	1.512	2	120.5035	1.512	2	120.5035	1.512	2	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	C(N[6]C[6]2)(CCH)(COO)	119.8810	0.000	1	119.8810	0.000	1	118.4323	1.803	3	119.4164	1.637	59	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(CCC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCO)(COO)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(CCC){1|Br<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|H<1>,4|C<3>}	C(N[6]C[6]2)(CCO)(COO)	117.7080	0.677	2	117.7080	0.459	2	118.4323	1.803	3	119.4164	1.637	59	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[5]-3:N[6]-3:C-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(CC[5]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(C[5]C[5]S[5])(N[6]C[6]2)(COO)	N[6](C[6]C[6]H)(C[6]C[6]S)(CC[5]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<1>}	C(C[5]C[5]S[5])(N[6]C[6]2)(COO)	116.9730	0.000	1	116.9730	0.000	1	116.9730	0.000	1	119.4164	1.637	59	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:C-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]C){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	118.0490	0.000	1	118.0490	0.000	1	118.0490	0.000	1	119.4164	1.637	59	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCC)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C(N[6]C[6]2)(CCH)(COO)	118.2660	0.000	1	118.2660	0.000	1	119.5265	1.521	53	119.4164	1.637	59	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CC[6a]O)(COsH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(N[6]C[6]2)(CC[6a]O)(COsH)	116.1165	0.054	2	116.1165	0.003	2	119.5265	1.521	53	119.4164	1.637	59	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CCH)(COO)	118.5550	0.000	1	118.5550	0.000	1	119.5265	1.521	53	119.4164	1.637	59	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCC)(COO)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(N[6]C[6]2)(CCC)(COO)	120.2175	0.642	20	120.2175	0.413	20	119.5265	1.521	53	119.4164	1.637	59	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CCH)(COO)	118.4570	0.000	1	119.1352	0.941	24	119.5265	1.521	53	119.4164	1.637	59	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C(N[6]C[6]2)(CCH)(COO)	118.9985	0.946	4	119.1352	0.941	24	119.5265	1.521	53	119.4164	1.637	59	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(N[6]C[6]2)(CCH)(COO)	119.3263	1.224	10	119.1352	0.941	24	119.5265	1.521	53	119.4164	1.637	59	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CCH)(COO)	119.1650	1.051	2	119.1352	0.941	24	119.5265	1.521	53	119.4164	1.637	59	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C(N[6]C[6]2)(CCH)(COO)	118.9052	0.741	6	119.1352	0.941	24	119.5265	1.521	53	119.4164	1.637	59	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CCH)(COO)	119.7700	0.000	1	119.1352	0.941	24	119.5265	1.521	53	119.4164	1.637	59	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CN[6]C)(COO)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(N[6]C[6]2)(CN[6]C)(COO)	120.8130	1.112	4	120.8130	1.237	4	119.5265	1.521	53	119.4164	1.637	59	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]O)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CCH)(COO)	119.0060	0.000	1	119.0060	0.000	1	119.5265	1.521	53	119.4164	1.637	59	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:S-1:	C[5]-3:N[6]-3:C-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(CC[5]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(S)	C(C[5]C[5]S[5])(N[6]C[6]2)(COO)	N[6](C[6]C[6]H)(C[6]C[6]S)(CC[5]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(S){1|C<3>,2|H<1>}	C(C[5]C[5]S[5])(N[6]C[6]2)(COO)	120.3410	0.000	1	120.3410	0.000	1	120.3410	0.000	1	119.4164	1.637	59	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:H-1:	N[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]H)2(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C(N[6]C[6]2)(CH3)(H)	120.4320	7.898	2	120.4320	62.384	2	120.4320	62.384	2	121.8715	8.196	22	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<4>,2|C<3>}	C(N[6]C[6]2)(CH3)(O)	121.2810	0.826	2	121.2810	0.682	2	122.0155	5.536	20	121.8715	8.196	22	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<4>,2|C<3>}	C(N[6]C[6]2)(CH3)(O)	122.0962	0.327	4	122.0962	0.107	4	122.0155	5.536	20	121.8715	8.196	22	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H)	C(N[6]C[6]2)(CC3)(O)	N[6](C[6]C[6]H)2(CCO){1|H<1>,2|C<4>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(CC3)(O)	118.0430	0.000	1	118.0430	0.000	1	122.0155	5.536	20	121.8715	8.196	22	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CC3)(O)	N[6](C[6]C[6]H)2(CCO){1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	C(N[6]C[6]2)(CC3)(O)	125.5680	0.000	1	125.5680	0.000	1	122.0155	5.536	20	121.8715	8.196	22	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]H)2(CCO)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C(N[6]C[6]2)(CH3)(O)	122.1459	2.602	12	122.1459	6.769	12	122.0155	5.536	20	121.8715	8.196	22	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:C-3:	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CPdCH)(CCH)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CPdCH)(CCH)	119.1565	0.793	6	119.1565	0.629	6	119.1565	0.629	6	119.1565	0.629	6	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:S-4:S-4:	N[6](C[6]C[6]H)2(CSS)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(SC[6a]OO)2	N[6](C[6]C[6]H)2(CSS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(N[6]C[6]2)(SC[6a]OO)2	119.4285	0.689	2	119.4285	0.475	2	119.4285	0.475	2	119.4285	0.475	2	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO){1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){2|H<1>,4|C<3>}	C(N[6]C[6]N[6])(OC)(O)	125.4657	0.258	3	125.4657	0.066	3	125.4657	0.066	3	125.4657	0.066	3	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]O[6]H)(N[6]C[6]C)(COO)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|O<2>,2|H<1>}	C[6](C[6]O[6]H)(N[6]C[6]C)(COO){1|C<3>,1|H<1>}	C(N[6]C[6]2)(OC)(O)	123.1810	0.000	1	123.1810	0.000	1	123.1810	0.000	1	124.7635	5.009	2	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]C)(N[6]C[6]C)(COO)	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(CC[6a]H)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]C)(N[6]C[6]C)(COO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(CC[6a]H){1|C<4>,1|O<1>,3|C<3>}	C(N[6]C[6]N[6])(OC)(O)	126.3460	0.000	1	126.3460	0.000	1	126.3460	0.000	1	124.7635	5.009	2	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-3:C-3:	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(CCC)	C[6](C[6]C[6,6a]Br)(C[6a]C[6a]2)(N[6]C[6]C)	C(N[6]C[6]2)(CCO)(COO)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(CCC){1|Br<1>,4|C<3>}	C[6](C[6]C[6,6a]Br)(C[6a]C[6a]2)(N[6]C[6]C){3|H<1>,4|C<3>}	C(N[6]C[6]2)(CCO)(COO)	120.8665	0.798	2	120.8665	0.637	2	120.8665	0.637	2	120.8397	0.321	3	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:N[6]-3:C-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]C){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	120.7860	0.000	1	120.7860	0.000	1	120.7860	0.000	1	120.8397	0.321	3	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]C)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(COO){2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(OC)(O)	119.4600	0.000	1	119.4600	0.000	1	119.4600	0.000	1	119.4600	0.000	1	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	N[6]-3:C-3:C-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(N[6]C[6]2)(CC[6a]O)(COsH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CC[6a]O)(COsH)	123.5930	0.206	2	123.5930	0.043	2	123.5930	0.043	2	123.5930	0.043	2	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:4:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3){1|H<1>,2|C<3>}	C(N[6]C[6]2)(CH3)(O)	123.0037	0.551	4	123.0037	0.303	4	123.3165	0.461	6	123.3165	0.461	6	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:4:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]N[6]H)(N[6]C[6]C)(CH3)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]C)(CH3){1|H<1>,2|C<3>}	C(N[6]C[6]2)(CH3)(O)	123.9420	0.471	2	123.9420	0.222	2	123.3165	0.461	6	123.3165	0.461	6	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:4:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	C(N[6]C[6,6a]C[6])(OC[6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO){1|S<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O){1|O<1>,2|C<3>}	C(N[6]C[6,6a]C[6])(OC[6])(O)	116.3840	0.000	1	116.3840	0.000	1	117.3040	1.693	2	117.3040	1.693	2	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:4:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	118.2240	0.000	1	118.2240	0.000	1	117.3040	1.693	2	117.3040	1.693	2	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:4:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]O)	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O){3|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	120.8590	0.941	4	120.8590	0.886	4	120.8590	0.886	4	120.1066	3.495	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:4:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CN[6]O)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)	C(N[6]C[6,6a]C[6])(N[6]C[6]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CN[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(N[6]C[6]2)(O)	117.0970	0.000	1	117.0970	0.000	1	117.0970	0.000	1	120.1066	3.495	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	4:3:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	117.2560	0.000	1	116.5520	0.991	2	116.5520	0.991	2	119.5302	24.898	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	4:3:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O){1|N<3>,3|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	115.8480	0.000	1	116.5520	0.991	2	116.5520	0.991	2	119.5302	24.898	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	4:3:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)	C[6](C[6]C[6a]O[6]C)(N[6]C[6,6a]C)(O)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]C)(N[6]C[6,6a]C)(O){4|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	119.3800	0.000	1	119.3800	0.000	1	119.3800	0.000	1	119.5302	24.898	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]C)(C[6]C[6]O)(COO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(COO){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(OC)(O)	117.0070	0.000	1	117.0070	0.000	1	117.0070	0.000	1	119.5302	24.898	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	4:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:O-2:O-1:	N[6](N[6]C[6,6a]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6a]CH)(N[6]N[6]C)(O)	C(N[6]C[6]N[6])(OC)(O)	N[6](N[6]C[6,6a]H)(C[6]C[6]O)(COO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]N[6]C)(O){1|H<1>,2|C<3>}	C(N[6]C[6]N[6])(OC)(O)	128.1600	0.000	1	128.1600	0.000	1	128.1600	0.000	1	119.5302	24.898	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)2(CC[6a]O)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]O)2(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	117.5705	2.399	2	117.5705	5.756	2	117.5705	5.756	2	119.0450	9.401	3	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-3:H-1:	N[6](C[6]C[6]O)(N[6]C[6]C)(CCH)	C[6](C[6]N[6]CH)(N[6]N[6]C)(O)	C(N[6]C[6]N[6])(CCH)(H)	N[6](C[6]C[6]O)(N[6]C[6]C)(CCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]N[6]C)(O){1|C<3>,2|C<4>}	C(N[6]C[6]N[6])(CCH)(H)	121.9940	0.000	1	121.9940	0.000	1	121.9940	0.000	1	119.0450	9.401	3	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:4:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6,6]-3:N[6]-3:O-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	121.4455	0.217	2	121.4455	0.047	2	121.4455	0.047	2	121.4455	0.047	2	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	121.5090	0.127	2	121.5090	0.016	2	121.5090	0.016	2	121.5090	0.016	2	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:4:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C(N[6]C[6]2)(CHHN)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(CHHN)(O)	124.1810	0.000	1	124.1810	0.000	1	124.1810	0.000	1	124.1810	0.000	1	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:4:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(N[6]C[6]C)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	123.5150	0.000	1	123.5150	0.000	1	124.2847	0.644	3	124.2847	0.644	3	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:4:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]I)(N[6]C[6]C)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO){1|I<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]I)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	124.6695	0.631	2	124.6695	0.399	2	124.2847	0.644	3	124.2847	0.644	3	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:4:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-3:	N[6]-3:C-3:C-3:	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCH)	C(N[6]C[6]2)(CC[5]C)(COO)	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCC){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(CC[5]C)(COO)	123.8100	0.000	1	123.8100	0.000	1	123.8100	0.000	1	123.8100	0.000	1	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:4:3:	3:3:3:	3:4:1:	C[6]-3:C[6]-4:C-3:	C[5a,6]-3:N[6]-3:C-3:	N[6]-3:C-4:O-1:	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(CCO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCH)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(CCO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6]2)(CH3)(O)	124.0800	0.000	1	124.0800	0.000	1	124.0800	0.000	1	125.9303	2.857	3	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:4:3:	3:3:3:	3:4:1:	C[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCO){1|C<4>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C){4|C<3>,4|H<1>}	C(N[6]C[6]2)(CH3)(O)	126.8555	0.760	2	126.8555	0.578	2	126.8555	0.578	2	125.9303	2.857	3	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	3:4:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|O<2>,3|H<1>,4|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	120.7100	0.000	1	120.7100	0.000	1	120.7100	0.000	1	120.7100	0.000	1	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	2:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:N[6]-3:O-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[5,6]CH)(C[6]O[6]O)(COO)	C[6](O[6]C[5,6])(N[6]C[6]C)(O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]CH)(C[6]O[6]O)(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](O[6]C[5,6])(N[6]C[6]C)(O){2|H<1>,3|C<4>}	C(N[6]C[6]2)(OC)(O)	118.4590	0.000	1	118.4590	0.000	1	118.4590	0.000	1	118.4590	0.000	1	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	2:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	N[6]-2:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]C[5]H)(C[6]N[6]H)(CCO)	C[6](N[6]C[6,6a])(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6,6a]C[5]H)(C[6]N[6]H)(CCO){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a])(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(CH3)(O)	123.5360	0.000	1	123.5360	0.000	1	123.5360	0.000	1	123.5360	0.000	1	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:2:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:O[6]-2:O-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(C[6]O[6]O)(COO)	C[6](N[6]C[6]C)(O[6]C[6])(O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(COO){1|C<3>,2|H<1>}	C[6](N[6]C[6]C)(O[6]C[6])(O){1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	119.2770	0.000	1	119.2770	0.000	1	119.2770	0.000	1	119.2770	0.000	1	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:2:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:O[6]-2:O-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]O[6]O)(CCO)	C[6](N[6]C[6]C)(O[6]C[6])(O)	C(N[6]C[6]2)(CCCH)(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(CCO){1|C<4>,2|H<1>}	C[6](N[6]C[6]C)(O[6]C[6])(O){1|H<1>,4|C<4>}	C(N[6]C[6]2)(CCCH)(O)	123.2630	0.929	3	123.2630	0.863	3	123.2630	0.863	3	123.2630	0.863	3	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:2:2:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	N[6]-3:N[6]-2:S-2:	C[6a]-3:N[6]-3:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]S)(CC[6a]O)	C[6](N[6]C[5,6]C)(N[6]C[5,6])(SC)	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]S)(CC[6a]O){3|C<4>,3|H<1>}	C[6](N[6]C[5,6]C)(N[6]C[5,6])(SC){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(O)	122.3080	0.000	1	122.3080	0.000	1	122.3080	0.000	1	122.3080	0.000	1	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5a,6]-3:N[6]-3:O-1:	N[6]-3:O-2:O-1:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]O)(COO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]C)(O)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]O)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]C)(O){1|C<4>,1|N<3>,4|C<3>}	C(N[6]C[5,6]C[6])(OC)(O)	120.6140	0.000	1	120.6140	0.000	1	120.6140	0.000	1	121.2333	8.256	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]F)(N[6]C[6,6]C)(H)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	C[6](C[6]C[6,6]F)(N[6]C[6,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(OC)(O)	118.4370	0.000	1	118.4370	0.000	1	118.3045	0.035	2	121.2333	8.256	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]H)(N[6]C[6,6]C)(H)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[6](C[6]C[6,6]H)(N[6]C[6,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[6,6]C[6])(OC)(O)	118.1720	0.000	1	118.1720	0.000	1	118.3045	0.035	2	121.2333	8.256	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,3|C<3>}	C(N[6]C[6]2)(OC)(O)	120.7295	5.119	2	120.7295	26.202	2	121.7639	9.615	13	121.2333	8.256	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC[6a])(O)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(OC[6a])(O)	124.7193	1.377	3	124.7193	1.896	3	121.7639	9.615	13	121.2333	8.256	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<2>,3|C<3>}	C(N[6]C[6]2)(OC)(O)	121.0700	0.000	1	121.0700	0.000	1	121.7639	9.615	13	121.2333	8.256	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	C(N[6]C[6]2)(OC)(O)	123.0620	0.624	2	123.0620	0.389	2	121.7639	9.615	13	121.2333	8.256	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C(N[6]C[6]2)(OC)(O)	118.4670	0.000	1	118.4670	0.000	1	121.7639	9.615	13	121.2333	8.256	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]Si)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]Si)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C(N[6]C[6]2)(OC[6])(O)	116.2290	0.000	1	116.2290	0.000	1	121.7639	9.615	13	121.2333	8.256	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	119.1390	0.000	1	121.8080	5.646	3	121.7639	9.615	13	121.2333	8.256	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,2|C<4>}	C(N[6]C[6]2)(OC)(O)	123.1425	0.779	2	121.8080	5.646	3	121.7639	9.615	13	121.2333	8.256	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C(N[6]C[6]2)(OC)(O)	123.8620	0.000	1	121.0927	5.970	3	121.0927	5.970	3	121.2333	8.256	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	C(N[6]C[6]2)(OC)(O)	119.7080	0.660	2	121.0927	5.970	3	121.0927	5.970	3	121.2333	8.256	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C-3:O-1:	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CCO)	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H)	C(N[6]C[5,6]C[6])(CCH)(O)	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CCO){1|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H){1|Fe<10>,1|N<3>,2|C<4>}	C(N[6]C[5,6]C[6])(CCH)(O)	122.6220	0.000	1	122.6220	0.000	1	122.6220	0.000	1	122.0994	7.907	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:O-1:	N[6]-3:C-3:H-1:	N[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]O)(CCH)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O)	C(N[6]C[6,6]C[6])(CC[6a]2)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]O)(CCH){3|C<3>,3|C<4>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O){1|C<4>,1|N<3>,3|H<1>}	C(N[6]C[6,6]C[6])(CC[6a]2)(H)	115.8930	0.000	1	115.8930	0.000	1	115.8930	0.000	1	122.0994	7.907	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]CC)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]CC)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<2>,1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	119.9370	0.000	1	119.9370	0.000	1	123.4622	2.803	10	122.0994	7.907	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<2>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	124.7070	0.000	1	124.7070	0.000	1	123.4622	2.803	10	122.0994	7.907	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|Si<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	124.0620	0.000	1	124.0620	0.000	1	123.4622	2.803	10	122.0994	7.907	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	124.4320	0.833	2	124.4320	0.694	2	123.4622	2.803	10	122.0994	7.907	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	124.6620	0.000	1	124.6620	0.000	1	123.4622	2.803	10	122.0994	7.907	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	122.5247	1.097	3	122.5247	1.204	3	123.4622	2.803	10	122.0994	7.907	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	124.8160	0.000	1	124.8160	0.000	1	123.4622	2.803	10	122.0994	7.907	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	121.7070	0.000	1	121.7070	0.000	1	121.7070	0.000	1	122.0994	7.907	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	N[6]-3:C-3:O-1:	N[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(CCO)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	C(N[6]C[6]2)(CC[6a]C)(O)	N[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(CCO){4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|C<4>,1|O<2>,4|C<3>}	C(N[6]C[6]2)(CC[6a]C)(O)	119.9600	0.000	1	119.9600	0.000	1	119.9600	0.000	1	122.0994	7.907	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CNO)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	C(N[6]C[6]2)(NCH)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CNO){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	C(N[6]C[6]2)(NCH)(O)	125.9040	0.000	1	125.9040	0.000	1	125.9040	0.000	1	122.0994	7.907	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:O-1:	C[5a]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]O)(CC[5a]H)	C[6](N[6]C[6]C)2(O)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)(C[6]N[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,4|H<1>}	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)	117.8580	0.000	1	117.8580	0.000	1	117.8580	0.000	1	122.0994	7.907	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:O-1:	N[6]-3:C-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCH)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	C(N[6]C[6]2)(CCC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCH){1|H<1>,4|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(CCC)(H)	118.1420	0.000	1	118.1420	0.000	1	118.1420	0.000	1	122.0994	7.907	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:O-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CNO)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)	C(N[6]C[6]2)(NHO)(O)	N[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CNO){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O){2|C<3>,2|H<1>}	C(N[6]C[6]2)(NHO)(O)	123.3720	0.000	1	123.3720	0.000	1	123.3720	0.000	1	122.0994	7.907	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:S-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]O)	C[6](N[6]C[6]C)2(S)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]C)2(S){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	119.8080	0.000	1	119.8080	0.000	1	119.8080	0.000	1	122.0994	7.907	19	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:N-2:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	123.2260	0.000	1	123.2260	0.000	1	121.6243	1.953	3	121.7717	1.389	4	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:N-2:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N){1|C<3>,1|I<1>,2|H<1>}	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	120.8235	0.241	2	120.8235	0.058	2	121.6243	1.953	3	121.7717	1.389	4	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:C-2:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CC[6a]H)(CN)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]2)(CC[6a]H)(CN)	122.2140	0.000	1	122.2140	0.000	1	122.2140	0.000	1	121.7717	1.389	4	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CCC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCO)(COO)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CCC){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|N<3>,2|H<1>,3|C<3>}	C(N[6]C[6]2)(CCO)(COO)	123.2910	0.000	1	123.2910	0.000	1	123.2910	0.000	1	122.5925	0.976	2	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:C-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CCS)(COO)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCC){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	C(N[6]C[6]2)(CCS)(COO)	121.8940	0.000	1	121.8940	0.000	1	121.8940	0.000	1	122.5925	0.976	2	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[4,6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(CCO)	C[6](N[6]C[4,6]C)(C[6]N[6]H)(H)	C(N[6]C[4,6]C[6])(CH3)(O)	N[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(CCO){1|C<4>,2|N<3>,3|H<1>}	C[6](N[6]C[4,6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C(N[6]C[4,6]C[6])(CH3)(O)	121.2334	2.399	8	121.2334	5.753	8	121.2334	5.753	8	122.4260	6.992	27	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	C(N[6]C[6,6]C[6])(CBrCH)(O)	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(N[6]C[6,6]C[6])(CBrCH)(O)	119.4410	0.000	1	119.0535	0.300	2	118.4248	0.689	4	122.4260	6.992	27	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	C(N[6]C[6,6]C[6])(CBrCH)(O)	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(N[6]C[6,6]C[6])(CBrCH)(O)	118.6660	0.000	1	119.0535	0.300	2	118.4248	0.689	4	122.4260	6.992	27	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	C(N[6]C[6,6]C[6])(CCCH)(O)	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(N[6]C[6,6]C[6])(CCCH)(O)	117.7960	0.431	2	117.7960	0.186	2	118.4248	0.689	4	122.4260	6.992	27	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:S-1:	N[6]-3:C-4:O-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(CCO)	C[6](N[6]C[6,6]C)(N[6]C[6,6]H)(S)	C(N[6]C[6,6]C[6])(CH3)(O)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(CCO){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6]C)(N[6]C[6,6]H)(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(N[6]C[6,6]C[6])(CH3)(O)	126.3290	0.000	1	126.3290	0.000	1	126.3290	0.000	1	122.4260	6.992	27	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO)	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO){3|C<3>}	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	C(N[6]C[6]2)(CH3)(O)	123.8125	0.407	2	123.8125	0.165	2	123.5858	0.940	10	122.4260	6.992	27	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(CCO)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(CH3)(O)	122.3980	0.000	1	122.3980	0.000	1	123.5858	0.940	10	122.4260	6.992	27	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(CCO)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(CH3)(O)	123.3290	0.000	1	123.3290	0.000	1	123.5858	0.940	10	122.4260	6.992	27	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	C(N[6]C[6]2)(CH3)(O)	123.1555	1.191	2	123.6502	1.561	5	123.5858	0.940	10	122.4260	6.992	27	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|W<7>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(CH3)(O)	123.9800	1.416	3	123.6502	1.561	5	123.5858	0.940	10	122.4260	6.992	27	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(CH3)(O)	124.2550	0.000	1	124.2550	0.000	1	123.5858	0.940	10	122.4260	6.992	27	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCO)	C[6](C[6]N[6]C)(N[6]C[6]C)(O)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCO){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]C)(O){1|C<3>,3|H<1>}	C(N[6]C[6]2)(CH3)(O)	124.6120	0.660	2	124.6120	0.436	2	124.6120	0.436	2	122.4260	6.992	27	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:O-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO){1|H<1>,4|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(CH3)(O)	124.6260	0.000	1	124.6260	0.000	1	124.6260	0.000	1	122.4260	6.992	27	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:S-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CCO)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CCO){1|H<1>,4|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(CH3)(O)	125.8980	0.000	1	125.8980	0.000	1	125.8980	0.000	1	122.4260	6.992	27	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:2:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:N-2:	N[6]-3:O-2:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(COO)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NC)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NC){1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[5,6]C[6])(OC)(O)	124.9370	0.000	1	124.9370	0.000	1	124.9370	0.000	1	124.9370	0.000	1	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	N[6]-3:O-2:O-1:	N[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(COO)	C[6](C[6]C[6,6]C)(N[6]C[5,6]C)(NHH)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(COO){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]C)(N[6]C[5,6]C)(NHH){4|C<3>}	C(N[6]C[5,6]C[6])(OC)(O)	120.0260	0.000	1	120.0260	0.000	1	120.0260	0.000	1	122.8214	6.727	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(COO)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C){4|C<3>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	125.9180	0.000	1	125.9180	0.000	1	125.9180	0.000	1	122.8214	6.727	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(CCH)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(CCH){1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]2)(OC)(O)	124.6340	0.000	1	124.6340	0.000	1	123.9050	1.063	2	122.8214	6.727	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]N[6]H)(N[6]C[6]C)(COO)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(COO){2|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	123.1760	0.000	1	123.1760	0.000	1	123.9050	1.063	2	122.8214	6.727	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:N-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO)	C[6](N[6]C[6]C)2(NCC)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO){2|C<4>,2|H<1>}	C[6](N[6]C[6]C)2(NCC){1|C<4>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	120.3530	0.000	1	120.3530	0.000	1	120.3530	0.000	1	122.8214	6.727	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:3:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:C-3:	N[6](C[6]C[4,6]C[6a]H)(C[6]C[6a]C[6])(CC[6a]C)	C[6](C[6]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	N[6](C[6]C[4,6]C[6a]H)(C[6]C[6a]C[6])(CC[6a]C){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,4|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	122.1950	0.000	1	122.1950	0.000	1	122.1950	0.000	1	122.1950	0.000	1	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:3:	3:3:4:	C[6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:N-3:	N[6]-3:N-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCN)	C[6](N[6]C[6]Al)(N[6]C[6]C)(NAlC)	C(N[6]C[6]2)(NAlC)(CH3)	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCN){1|Al<4>,1|C<4>,2|H<1>}	C[6](N[6]C[6]Al)(N[6]C[6]C)(NAlC){1|C<4>,4|H<1>}	C(N[6]C[6]2)(NAlC)(CH3)	126.5755	0.192	2	126.5755	0.037	2	126.5755	0.037	2	126.5755	0.037	2	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(CCO)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(N[6]C[6]C)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(CCO){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(N[6]C[6]C){3|H<1>,5|C<3>}	C(N[6]C[6]2)(CH3)(O)	125.3750	0.000	1	125.3750	0.000	1	124.5815	0.546	4	124.7224	0.509	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(CCO)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(CCO){1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C){3|H<1>,5|C<3>}	C(N[6]C[6]2)(CH3)(O)	124.3720	0.000	1	124.3720	0.000	1	124.5815	0.546	4	124.7224	0.509	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]C)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO){5|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]C){4|C<3>,4|H<1>}	C(N[6]C[6]2)(CH3)(O)	124.9200	0.000	1	124.9200	0.000	1	124.5815	0.546	4	124.7224	0.509	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C){4|C<3>,4|H<1>}	C(N[6]C[6]2)(CH3)(O)	123.6590	0.000	1	123.6590	0.000	1	124.5815	0.546	4	124.7224	0.509	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(CCO){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){3|H<1>,5|C<3>}	C(N[6]C[6]2)(CH3)(O)	125.2860	0.000	1	125.2860	0.000	1	125.2860	0.000	1	124.7224	0.509	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	128.5200	0.330	2	128.5200	0.109	2	128.5200	0.109	2	124.6935	19.605	4	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:C-4:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(COO)	C[6](N[6]C[6]C)2(CCHH)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]N[6]C)(COO){2|C<4>,2|H<1>}	C[6](N[6]C[6]C)2(CCHH){1|C<4>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	120.6050	0.000	1	120.6050	0.000	1	120.8670	0.137	2	124.6935	19.605	4	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:C-4:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(COO)	C[6](N[6]C[6]C)2(CCHH)	C(N[6]C[6]2)(OC[6a])(O)	N[6](C[6]C[6]HH)(C[6]N[6]C)(COO){2|C<4>,2|H<1>}	C[6](N[6]C[6]C)2(CCHH){1|C<4>,4|H<1>}	C(N[6]C[6]2)(OC[6a])(O)	121.1290	0.000	1	121.1290	0.000	1	120.8670	0.137	2	124.6935	19.605	4	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]2H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]2H)(C[6]C[6]O)(COO){4|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|N<3>,3|C<4>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	121.1020	0.000	1	121.1020	0.000	1	120.1960	5.555	5	120.1960	5.555	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<2>,1|C<4>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	119.4970	0.000	1	119.8013	10.428	3	120.1960	5.555	5	120.1960	5.555	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	123.1720	0.000	1	119.8013	10.428	3	120.1960	5.555	5	120.1960	5.555	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|O<2>,2|C<4>,2|H<1>}	C(N[6]C[6]2)(OC)(O)	116.7350	0.000	1	119.8013	10.428	3	120.1960	5.555	5	120.1960	5.555	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HO)(N[6]C[6]C)(O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	120.4740	0.000	1	120.4740	0.000	1	120.1960	5.555	5	120.1960	5.555	5	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O)	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(O)	120.3360	0.000	1	120.3360	0.000	1	120.3360	0.000	1	120.3360	0.000	1	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP2_SP2_SP2	N[6]	C[6]	C	4:3:3:	4:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCO)	C[6](C[6]O[6]HH)(N[6]C[6]C)(O)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCO){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(O){1|C<4>,2|H<1>}	C(N[6]C[6]2)(CH3)(O)	124.4960	0.686	2	124.4960	0.470	2	124.4960	0.470	2	124.4960	0.470	2	121.4864	7.823	291	121.5158	7.758	297
856	762	930	0:SP3_SP2_SP2	N[6]	C[6,6]	C	3:4:3:	3:4:3:	3:2:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(COO)	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[5,6]HH)(N[6]C[6]C)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(COO){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[5,6]HH)(N[6]C[6]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C(N[6]C[6,6]C[6])(OC)(O)	121.9030	0.000	1	121.9030	0.000	1	121.9030	0.000	1	121.9030	0.000	1	121.9030	0.000	1	123.0364	13.388	7
856	762	930	0:SP3_SP2_SP2	N[6]	C[6]	C	3:2:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-2:C-3:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:N-3:O-1:	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	C(N[6]C[6]N[6])(NCH)(O)	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){2|H<1>,4|C<3>}	C(N[6]C[6]N[6])(NCH)(O)	122.1860	0.000	1	122.1860	0.000	1	122.1860	0.000	1	122.1860	0.000	1	123.2253	15.766	6	123.0364	13.388	7
856	762	930	0:SP3_SP2_SP2	N[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	C(N[6]C[6]N[6])(OC[6a])(O)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO){1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){2|H<1>,4|C<3>}	C(N[6]C[6]N[6])(OC[6a])(O)	128.0855	0.077	2	128.0855	0.006	2	128.0855	0.006	2	128.0855	0.006	2	123.2253	15.766	6	123.0364	13.388	7
856	762	930	0:SP3_SP2_SP2	N[6]	C[6]	C	3:4:3:	3:3:3:	3:4:1:	C[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C(N[6]C[6]2)(CH3)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCO){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C(N[6]C[6]2)(CH3)(O)	122.0160	0.000	1	122.0160	0.000	1	122.0160	0.000	1	122.0160	0.000	1	123.2253	15.766	6	123.0364	13.388	7
856	762	930	0:SP3_SP2_SP2	N[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:N-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO)	C[6](N[6]C[6]C)2(NCC)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO){2|C<4>,2|H<1>}	C[6](N[6]C[6]C)2(NCC){1|C<4>,4|H<1>}	C(N[6]C[6]2)(OC)(O)	118.7390	0.000	1	118.7390	0.000	1	118.7390	0.000	1	118.7390	0.000	1	123.2253	15.766	6	123.0364	13.388	7
856	762	930	0:SP3_SP2_SP2	N[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]2)(OC)(O)	120.2400	0.000	1	120.2400	0.000	1	120.2400	0.000	1	120.2400	0.000	1	123.2253	15.766	6	123.0364	13.388	7
856	762	931	6:SP2_SP2_SPD5	N[6]	C[6]	Si[5,6]	5:3:3:	3:3:4:	3:3:3:2:1:	Si[5,6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:N[5]-3:O[5]-2:H-1:	N[6](Si[5,6]N[5]N[6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	Si[5,6](N[6]C[6a]C[6])2(N[5]N[5]C)(O[5]C[5])(H)	N[6](Si[5,6]N[5]N[6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|N<3>}	Si[5,6](N[6]C[6a]C[6])2(N[5]N[5]C)(O[5]C[5])(H){3|C<4>,5|C<3>}	125.1655	1.022	2	125.1655	1.044	2	125.1655	1.044	2	125.1655	1.044	2	125.1655	1.044	2	125.1655	1.044	2
856	762	934	6:SP2_SP2_SPD5	N[6]	C[6]	Si[6]	5:3:3:	3:3:1:	3:3:1:1:1:	Si[6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:Cl-1:Cl-1:H-1:	N[6](Si[6]N[6]Cl2H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H)	Si[6](N[6]C[6a]C[6])2(Cl)2(H)	N[6](Si[6]N[6]Cl2H)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	Si[6](N[6]C[6a]C[6])2(Cl)2(H){2|H<1>,5|C<3>}	125.5455	1.218	2	125.5455	1.484	2	125.5455	1.484	2	125.5455	1.484	2	125.5455	1.484	2	125.5455	1.484	2
856	762	939	0:SP2_SP2_SP2	N[6,6]	C[6]	Ge[5,6]	3:3:3:	3:3:1:	3:3:3:	Ge[5,6]-3:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[5,6,6]-3:N[5,6]-3:N[6,6]-3:	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H)	Ge[5,6](N[5,6,6]C[5,6,6]C[6])(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6])	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	Ge[5,6](N[5,6,6]C[5,6,6]C[6])(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6]){3|C<4>,4|C<3>,4|H<1>}	109.4450	0.000	1	109.4450	0.000	1	109.4450	0.000	1	109.4450	0.000	1	109.7550	0.192	2	109.7550	0.192	2
856	762	939	0:SP2_SP2_SP2	N[6,6]	C[6]	Ge[5,6]	3:3:3:	3:3:1:	4:3:3:	Ge[5,6]-3:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[5,6,6]-4:N[5,6]-3:N[6,6]-3:	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H)	Ge[5,6](N[5,6,6]C[5,6,6]C[6]H)(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6])	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|N<4>}	Ge[5,6](N[5,6,6]C[5,6,6]C[6]H)(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6]){3|C<4>,4|C<3>,4|H<1>}	110.0650	0.000	1	110.0650	0.000	1	110.0650	0.000	1	110.0650	0.000	1	109.7550	0.192	2	109.7550	0.192	2
856	762	939	6:SP2_SP2_SP2	N[6,6]	C[6,6]	Ge[5,6]	3:3:3:	4:3:3:	3:3:3:	Ge[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-3:	N[5,6,6]-3:N[5,6]-3:N[6,6]-3:	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H)	Ge[5,6](N[5,6,6]C[5,6,6]C[6])(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6])	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	Ge[5,6](N[5,6,6]C[5,6,6]C[6])(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6]){3|C<4>,4|C<3>,4|H<1>}	129.4910	0.000	1	129.4910	0.000	1	129.4910	0.000	1	129.4910	0.000	1	129.5685	0.012	2	129.5685	0.012	2
856	762	939	6:SP2_SP2_SP2	N[6,6]	C[6,6]	Ge[5,6]	3:3:3:	4:3:3:	4:3:3:	Ge[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-3:	N[5,6,6]-4:N[5,6]-3:N[6,6]-3:	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H)	Ge[5,6](N[5,6,6]C[5,6,6]C[6]H)(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6])	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H){1|N<3>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	Ge[5,6](N[5,6,6]C[5,6,6]C[6]H)(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6]){3|C<4>,4|C<3>,4|H<1>}	129.6460	0.000	1	129.6460	0.000	1	129.6460	0.000	1	129.6460	0.000	1	129.5685	0.012	2	129.5685	0.012	2
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:2:2:	3:3:2:	3:2:	C[6]-3:N[6]-2:N-2:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:S-2:	N[6](C[6]C[6a]N[6])(N[6]C[6])(NS)	C[6](C[6a]C[6a]2)(N[6]N[6]N)(N[6]N[6])	N(N[6]C[6]N[6])(SC)	N[6](C[6]C[6a]N[6])(N[6]C[6])(NS){1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]N)(N[6]N[6]){2|H<1>,3|C<3>}	N(N[6]C[6]N[6])(SC)	120.6770	0.000	1	120.6770	0.000	1	120.6770	0.000	1	120.6770	0.000	1	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:2:	2:3:3:	3:4:	C[6]-3:C[6]-3:N-2:	N[6]-2:N[6]-3:N-3:	N[6]-3:S-4:	N[6](C[6]C[6,6a]H)(C[6]N[6]N)(NS)	C[6](N[6]C[6,6a])(N[6]C[6]N)(NCH)	N(N[6]C[6]2)(SC[6a]OO)	N[6](C[6]C[6,6a]H)(C[6]N[6]N)(NS){2|C<3>}	C[6](N[6]C[6,6a])(N[6]C[6]N)(NCH){1|H<1>,2|C<3>}	N(N[6]C[6]2)(SC[6a]OO)	117.6390	0.107	2	117.6390	0.012	2	117.6390	0.012	2	117.6390	0.012	2	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:H-1:	N[6]-3:C-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC)	C[6](N[6]C[6,6a]N)(C[6]C[6]H)(H)	N(N[6]C[6,6a]C[6])(CC[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]N)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N(N[6]C[6,6a]C[6])(CC[6a]H)	120.8490	0.000	1	120.8490	0.000	1	120.8490	0.000	1	119.0824	15.162	53	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:2:	3:3:1:	3:3:	C[6]-3:C[6]-3:N-2:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-3:	N[6](C[6]C[6,6a]O)2(NC)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6,6a]O)2(NC){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	N(N[6]C[6]2)(CC[6a]H)	116.1160	2.103	4	116.1160	4.423	4	116.1160	4.423	4	119.0824	15.162	53	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:2:	3:3:1:	3:3:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:	N[6](C[6]C[6]H)2(NC)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N(N[6]C[6]2)(CCC)	N[6](C[6]C[6]H)2(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CCC)	119.5401	2.270	10	119.5401	5.155	10	119.2928	15.633	48	119.0824	15.162	53	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:2:	3:3:1:	3:3:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:	N[6](C[6]C[6]H)2(NC)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]H)2(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(N[6]C[6]2)(CC[6a]H)	119.5915	8.579	2	119.2702	21.286	32	119.2928	15.633	48	119.0824	15.162	53	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:2:	3:3:1:	3:3:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:	N[6](C[6]C[6]H)2(NC)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]H)2(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CC[6a]H)	119.2488	4.495	30	119.2702	21.286	32	119.2928	15.633	48	119.0824	15.162	53	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:2:	3:3:1:	3:3:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:	N[6](C[6]C[6]H)2(NC)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N(N[6]C[6]2)(CC[6a]O)	N[6](C[6]C[6]H)2(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CC[6a]O)	118.7515	2.651	4	118.7515	7.027	4	119.2928	15.633	48	119.0824	15.162	53	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:2:	3:3:1:	3:3:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-3:	N[6](C[6]C[6]H)2(NC)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N(N[6]C[6]2)(CNN)	N[6](C[6]C[6]H)2(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CNN)	119.5000	2.349	2	119.5000	5.518	2	119.2928	15.633	48	119.0824	15.162	53	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:2:	3:3:1:	3:4:	C[6]-3:C[6]-3:N-2:	C[5a,6]-3:N[6]-3:H-1:	N[6]-3:S-4:	N[6](C[6]C[5a,6]H)(C[6]C[6]C)(NS)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]N)(H)	N(N[6]C[6]2)(SC[6a]OO)	N[6](C[6]C[5a,6]H)(C[6]C[6]C)(NS){3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]N)(H){1|C<4>,1|N<3>,3|C<3>}	N(N[6]C[6]2)(SC[6a]OO)	119.1830	0.000	1	119.1830	0.000	1	119.1830	0.000	1	119.6609	6.801	9	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:2:	3:3:1:	3:4:	C[6]-3:C[6]-3:N-2:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:S-4:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(NS)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)	N(N[6]C[6]2)(SCOO)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(NS){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H){2|H<1>,3|C<3>}	N(N[6]C[6]2)(SCOO)	121.8070	0.000	1	121.8070	0.000	1	122.0323	0.052	3	119.6609	6.801	9	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:2:	3:3:1:	3:4:	C[6]-3:C[6]-3:N-2:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:S-4:	N[6](C[6]C[6,6a]H)(C[6]N[6]N)(NS)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)	N(N[6]C[6]2)(SC[6a]OO)	N[6](C[6]C[6,6a]H)(C[6]N[6]N)(NS){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N(N[6]C[6]2)(SC[6a]OO)	122.1450	0.168	2	122.1450	0.028	2	122.0323	0.052	3	119.6609	6.801	9	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:2:	3:3:1:	3:4:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:	N[6](C[6]C[6]H)2(NC)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N(N[6]C[6]2)(CC[6a]CH)	N[6](C[6]C[6]H)2(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CC[6a]CH)	119.0815	3.601	2	119.0815	12.969	2	119.0815	12.969	2	119.6609	6.801	9	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:2:	3:3:1:	3:4:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:S-4:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(NS)	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H)	N(N[6]C[6]2)(SCOO)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(NS){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H){1|H<1>,2|C<3>}	N(N[6]C[6]2)(SCOO)	115.5360	0.000	1	115.5360	0.000	1	117.8350	6.781	3	119.6609	6.801	9	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:2:	3:3:1:	3:4:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:S-4:	N[6](C[6]C[6]H)2(NS)	C[6](C[6]C[6]C)(N[6]C[6]N)(H)	N(N[6]C[6]2)(SCOO)	N[6](C[6]C[6]H)2(NS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	N(N[6]C[6]2)(SCOO)	117.3060	0.000	1	117.3060	0.000	1	117.8350	6.781	3	119.6609	6.801	9	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:2:	3:3:1:	3:4:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:S-4:	N[6](C[6]C[6]H)2(NS)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N(N[6]C[6]2)(SCOO)	N[6](C[6]C[6]H)2(NS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	N(N[6]C[6]2)(SCOO)	120.6630	0.000	1	120.6630	0.000	1	117.8350	6.781	3	119.6609	6.801	9	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:2:	3:3:1:	4:3:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	C[5]-4:N[6]-3:	N[6](C[6]C[6]H)2(NC[5])	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N(C[5]C[5]2Co)(N[6]C[6]2)	N[6](C[6]C[6]H)2(NC[5]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5]2Co)(N[6]C[6]2)	119.1230	1.329	2	119.1230	1.767	2	119.1230	1.767	2	119.1230	1.767	2	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:2:	3:3:4:	3:4:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:C-4:	N[6]-3:S-4:	N[6](C[6]C[5a,6]H)(C[6]C[6]C)(NS)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]N)(CC[6a]HH)	N(N[6]C[6]2)(SC[6a]OO)	N[6](C[6]C[5a,6]H)(C[6]C[6]C)(NS){3|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]N)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	N(N[6]C[6]2)(SC[6a]OO)	117.4180	0.000	1	117.4180	0.000	1	117.4180	0.000	1	117.4180	0.000	1	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:4:2:	3:3:1:	3:3:	C[6]-3:B[6]-4:N-2:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:C-3:	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]N)(H)	N(N[6]B[6]C[6])(CC[6a]H)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]N)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	N(N[6]B[6]C[6])(CC[6a]H)	113.6780	0.000	1	113.6780	0.000	1	112.8820	1.267	2	112.8820	1.267	2	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	3:4:2:	3:3:1:	3:3:	C[6]-3:B[6]-4:N-2:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:C-3:	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]B[6]N)(H)	N(N[6]B[6]C[6])(CC[6a]H)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]B[6]N)(H){1|O<2>,2|F<1>,3|C<3>}	N(N[6]B[6]C[6])(CC[6a]H)	112.0860	0.000	1	112.0860	0.000	1	112.8820	1.267	2	112.8820	1.267	2	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	4:3:2:	3:2:4:	3:1:	C[6]-4:C[6]-3:N-2:	N[6]-3:N[6]-2:C-4:	N[6]-3:O-1:	N[6](C[6]N[6]HH)(C[6]N[6]C)(NO)	C[6](N[6]C[6]N)(N[6]C[6])(CClNN)	N(N[6]C[6]2)(O)	N[6](C[6]N[6]HH)(C[6]N[6]C)(NO){1|C<4>,1|N<3>}	C[6](N[6]C[6]N)(N[6]C[6])(CClNN){1|N<3>,4|H<1>}	N(N[6]C[6]2)(O)	118.4860	0.000	1	118.4860	0.000	1	118.4860	0.000	1	118.4860	0.000	1	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	4:3:2:	3:3:1:	3:3:	C[6]-4:C[6]-3:N-2:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-3:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|N<3>,2|H<1>,3|C<3>}	N(N[6]C[6]2)(CC[6a]H)	114.4490	0.000	1	114.1580	0.169	2	114.1580	0.169	2	114.8663	0.726	4	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	4:3:2:	3:3:1:	3:3:	C[6]-4:C[6]-3:N-2:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-3:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|N<3>,2|H<1>,3|C<3>}	N(N[6]C[6]2)(CC[6a]H)	113.8670	0.000	1	114.1580	0.169	2	114.1580	0.169	2	114.8663	0.726	4	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	4:3:2:	3:3:1:	3:3:	C[6]-4:C[6]-3:N-2:	N[6]-3:N[6]-3:O-1:	N[6]-3:C-3:	N[6](C[6]C[6]HH)(C[6]N[6]O)(NC)	C[6](N[6]C[6]N)(N[6]N[6]H)(O)	N(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]HH)(C[6]N[6]O)(NC){1|C<4>,1|H<1>,1|N<2>}	C[6](N[6]C[6]N)(N[6]N[6]H)(O){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CC[6a]H)	115.5745	0.045	2	115.5745	0.002	2	115.5745	0.002	2	114.8663	0.726	4	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP2_SP2_SP2	N[6]	C[6]	N	4:3:2:	4:3:1:	3:2:	C[6]-4:C[6]-3:N-2:	C[6]-4:N[6]-3:O-1:	N[6]-3:N-2:	N[6](C[6]C[6]HH)(C[6]C[6]O)(NN)	C[6](C[6]C[6]HH)(N[6]C[6]N)(O)	N(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)(C[6]C[6]O)(NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(O){1|C<4>,4|H<1>}	N(N[6]C[6]2)(NC[6a])	114.5720	0.000	1	114.5720	0.000	1	114.5720	0.000	1	114.5720	0.000	1	118.6608	13.543	76	118.6608	13.543	76
856	762	941	0:SP3_SP2_SP2	N[6]	C[6]	N	4:3:2:	3:3:1:	3:3:	C[6]-4:C[6]-3:N-2:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-3:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N(N[6]C[6]2)(CC[6a]C)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|N<3>,2|H<1>,3|C<3>}	N(N[6]C[6]2)(CC[6a]C)	116.0640	0.000	1	116.0640	0.000	1	116.0640	0.000	1	116.0640	0.000	1	116.0640	0.000	1	116.0640	0.000	1
856	762	942	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:Ga[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:B-4:	N[6](C[6a]C[6a]2)(Ga[6]N[6]B)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(BC[6a]3)	N[6](C[6a]C[6a]2)(Ga[6]N[6]B)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|B<4>,1|C<4>,1|N<3>,2|C<3>}	Ga[6](N[6]C[6a]C[6])2(BC[6a]3){2|C<4>,5|C<3>}	122.9702	0.357	4	122.9702	0.128	4	122.9702	0.128	4	122.0446	6.617	8	122.0446	6.617	8	122.0446	6.617	8
856	762	942	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:Ga[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:Ga-4:	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<4>,1|C<4>,1|N<3>,2|C<3>}	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI){2|C<4>,5|C<3>}	118.2270	2.370	2	118.2270	5.618	2	121.1190	13.027	4	122.0446	6.617	8	122.0446	6.617	8	122.0446	6.617	8
856	762	942	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:Ga[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:Ga-4:	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(GaC[6a]3)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Ga<4>,1|C<4>,1|N<3>,2|C<3>}	Ga[6](N[6]C[6a]C[6])2(GaC[6a]3){2|C<4>,5|C<3>}	124.0110	0.091	2	124.0110	0.008	2	121.1190	13.027	4	122.0446	6.617	8	122.0446	6.617	8	122.0446	6.617	8
856	762	943	0:SP2_SP-NON_SP2	N[3x6]	C[6]	Ga[6,6]	4:4:3:	3:3:3:	3:3:3:4:	Ga[4x6]-4:Ga[6,6]-4:C[6]-3:	N[3x6]-3:N[6]-3:C[6a]-3:	N[3x6]-3:N[6]-3:N[6]-3:C-4:	N[3x6](Ga[4x6]N[6,6]2N[6])(Ga[6,6]N[6]2C)(C[6]C[6a]N[6])	C[6](N[3x6]Ga[4x6]Ga[6,6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2)	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	N[3x6](Ga[4x6]N[6,6]2N[6])(Ga[6,6]N[6]2C)(C[6]C[6a]N[6]){2|Ga<4>,1|H<1>,8|C<3>}	C[6](N[3x6]Ga[4x6]Ga[6,6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>,5|N<3>}	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){4|N<3>,5|C<3>}	128.9680	0.000	1	128.9680	0.000	1	128.9680	0.000	1	128.9680	0.000	1	128.9680	0.000	1	120.8959	6.205	64
856	762	943	0:SP2_SP-NON_SP2	N[6,6]	C[6]	Ga[6,6]	4:3:3:	3:3:1:	3:3:2:1:	Ga[6,6]-4:C[6,6,6a]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:Cl[6,6]-2:Cl-1:	N[6,6](Ga[6,6]C[6,6a]Cl[6,6]Cl)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6,6a]Ga[6,6])(C[6]C[6]H)(H)	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl)	N[6,6](Ga[6,6]C[6,6a]Cl[6,6]Cl)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H){1|Ga<4>,1|H<1>,5|C<3>}	C[6](N[6,6]C[6,6,6a]Ga[6,6])(C[6]C[6]H)(H){1|Cl<1>,1|Cl<2>,1|H<1>,3|C<3>}	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl){1|Cl<1>,1|N<3>,2|H<1>,5|C<3>}	115.2560	1.573	2	115.2560	2.473	2	115.2560	2.473	2	115.2560	2.473	2	115.2560	2.473	2	120.8959	6.205	64
856	762	943	0:SP2_SP-NON_SP2	N[6,6]	C[6]	Ga[6]	4:3:3:	3:3:1:	3:3:1:1:	Ga[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6,6]-3:Cl-1:Cl-1:	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H)	Ga[6](N[6,6]C[6,6]C[6])2(Cl)2	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	Ga[6](N[6,6]C[6,6]C[6])2(Cl)2{1|C<4>,2|H<1>,4|C<3>}	121.2025	0.623	2	121.2025	0.388	2	121.2025	0.388	2	121.2025	0.388	2	124.4470	10.743	5	120.8959	6.205	64
856	762	943	0:SP2_SP-NON_SP2	N[6,6]	C[6]	Ga[6]	4:3:4:	3:3:3:	3:3:4:4:	Ga[4x6]-4:C[6]-3:Ga[6]-4:	N[6,6]-3:N[6]-3:C[6a]-3:	N[6,6]-3:N[6]-3:C-4:C-4:	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC)	C[6](N[6,6]Ga[4x6]Ga[6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2)	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,8|C<3>}	C[6](N[6,6]Ga[4x6]Ga[6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>,4|N<3>}	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2{4|C<3>,4|N<3>}	128.7020	0.000	1	128.7020	0.000	1	127.4740	3.016	2	126.6100	3.747	3	124.4470	10.743	5	120.8959	6.205	64
856	762	943	0:SP2_SP-NON_SP2	N[6,6]	C[6]	Ga[6]	4:3:4:	3:3:3:	3:3:4:4:	Ga[4x6]-4:C[6]-3:Ga[6]-4:	N[6,6]-3:N[6]-3:C[6a]-3:	N[6,6]-3:N[6]-3:C-4:C-4:	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC)	C[6](N[6,6]Ga[4x6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2)	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,8|C<3>}	C[6](N[6,6]Ga[4x6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>,5|N<3>}	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2{4|C<3>,4|N<3>}	126.2460	0.000	1	126.2460	0.000	1	127.4740	3.016	2	126.6100	3.747	3	124.4470	10.743	5	120.8959	6.205	64
856	762	943	0:SP2_SP-NON_SP2	N[6,6]	C[6]	Ga[6]	4:3:4:	3:3:3:	3:3:4:4:	Ga[6,6]-4:C[6]-3:Ga[6]-4:	N[6,6]-3:N[6]-3:C[6a]-3:	N[6,6]-3:N[6]-3:C-4:C-4:	N[6,6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])(Ga[6]N[6]CC)	C[6](N[6,6]Ga[6,6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2)	Ga[6](N[6,6]Ga[6,6]C[6])(N[6]C[6a]C[6])(CH3)2	N[6,6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,5|C<3>}	C[6](N[6,6]Ga[6,6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<3>,2|H<1>,2|N<2>,4|C<3>,4|C<4>}	Ga[6](N[6,6]Ga[6,6]C[6])(N[6]C[6a]C[6])(CH3)2{1|C<4>,1|N<2>,1|N<3>,1|O<3>,4|C<3>}	124.8820	0.000	1	124.8820	0.000	1	124.8820	0.000	1	126.6100	3.747	3	124.4470	10.743	5	120.8959	6.205	64
856	762	943	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga[3x6]	4:3:3:	3:3:1:	2:2:2:3:	Ga[3x6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	S[6,6]-2:S[6,6]-2:S[6,6]-2:N[6]-3:	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]C)(H)	Ga[3x6](S[6,6]Ga[6x6])3(N[6]C[6]2)	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|C<4>}	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]C)(H){1|C<3>,2|H<1>,3|S<2>}	Ga[3x6](S[6,6]Ga[6x6])3(N[6]C[6]2){2|C<3>,2|H<1>,3|S<2>,3|S<3>}	120.5284	0.439	7	120.5284	0.193	7	120.7863	2.567	16	120.7863	2.567	16	120.7863	2.567	16	120.8959	6.205	64
856	762	943	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga[3x6]	4:3:3:	3:3:1:	2:2:2:3:	Ga[3x6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	S[6,6]-2:S[6,6]-2:S[6,6]-2:N[6]-3:	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	Ga[3x6](S[6,6]Ga[6x6])3(N[6]C[6]2)	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|H<1>}	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,3|S<2>}	Ga[3x6](S[6,6]Ga[6x6])3(N[6]C[6]2){2|C<3>,2|H<1>,3|S<2>,3|S<3>}	121.1582	0.930	4	120.9869	4.565	9	120.7863	2.567	16	120.7863	2.567	16	120.7863	2.567	16	120.8959	6.205	64
856	762	943	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga[3x6]	4:3:3:	3:3:1:	2:2:2:3:	Ga[3x6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	S[6,6]-2:S[6,6]-2:S[6,6]-2:N[6]-3:	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	Ga[3x6](S[6,6]Ga[6x6])3(N[6]C[6]2)	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|H<1>}	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|S<2>}	Ga[3x6](S[6,6]Ga[6x6])3(N[6]C[6]2){2|C<3>,2|H<1>,3|S<2>,3|S<3>}	120.8498	2.903	5	120.9869	4.565	9	120.7863	2.567	16	120.7863	2.567	16	120.7863	2.567	16	120.8959	6.205	64
856	762	943	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6,6]	4:3:3:	3:3:1:	2:3:2:2:	Ga[6,6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	S[6,6]-2:N[6]-3:S[6]-2:S[6]-2:	N[6](Ga[6,6]S[6,6]S[6]2)(C[6]C[6]H)2	C[6](N[6]Ga[6,6]C[6])(C[6]C[6]H)(H)	Ga[6,6](S[6,6]Ga[6,6])(N[6]C[6]2)(S[6]Ga[6])2	N[6](Ga[6,6]S[6,6]S[6]2)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|H<1>}	C[6](N[6]Ga[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|S<2>}	Ga[6,6](S[6,6]Ga[6,6])(N[6]C[6]2)(S[6]Ga[6])2{2|C<3>,2|H<1>,2|S<2>,5|N<3>}	121.2530	0.132	2	121.2530	0.017	2	121.2530	0.017	2	121.2530	0.017	2	121.2530	0.017	2	120.8959	6.205	64
856	762	943	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:1:	2:2:3:1:	Ga[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	Se[6]-2:Se[6]-2:N[6]-3:Br-1:	N[6](Ga[6]Se[6]2Br)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	Ga[6](Se[6]Ga[6])2(N[6]C[6]2)(Br)	N[6](Ga[6]Se[6]2Br)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|C<4>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Br<1>,2|Se<2>,1|C<3>,2|H<1>}	Ga[6](Se[6]Ga[6])2(N[6]C[6]2)(Br){1|Se<2>,2|Br<1>,2|C<3>,2|H<1>,2|N<3>}	120.1753	0.894	12	120.1753	0.800	12	120.1753	0.800	12	120.1753	0.800	12	120.5403	2.969	38	120.8959	6.205	64
856	762	943	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:1:	2:2:3:3:	Ga[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	S[6]-2:S[6]-2:N[6]-3:N[6]-3:	N[6](Ga[6]N[6]S[6]2)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	Ga[6](S[6]Ga[6,6])2(N[6]C[6]2)2	N[6](Ga[6]N[6]S[6]2)(C[6]C[6]H)2{2|Ga<4>,2|H<1>,3|C<3>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|N<3>,2|S<2>}	Ga[6](S[6]Ga[6,6])2(N[6]C[6]2)2{2|N<3>,3|S<2>,4|C<3>,4|H<1>}	121.4523	0.850	4	121.4523	0.723	4	121.4523	0.723	4	121.4523	0.723	4	120.5403	2.969	38	120.8959	6.205	64
856	762	943	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:1:	3:2:2:1:	Ga[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:S[6]-2:S[6]-2:Br-1:	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br)	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|C<4>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Br<1>,1|C<3>,2|H<1>,2|S<2>}	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br){2|Br<1>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	120.0780	0.692	6	120.0780	0.479	6	120.6423	1.929	12	120.5317	2.129	18	120.5403	2.969	38	120.8959	6.205	64
856	762	943	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:1:	3:2:2:1:	Ga[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:S[6]-2:S[6]-2:Br-1:	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br)	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|H<1>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|S<2>}	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br){2|Br<1>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	121.2067	1.732	6	121.2067	3.001	6	120.6423	1.929	12	120.5317	2.129	18	120.5403	2.969	38	120.8959	6.205	64
856	762	943	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:1:	3:2:2:1:	Ga[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:S[6]-2:S[6]-2:Cl-1:	N[6](Ga[6]S[6]2Cl)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Cl)	N[6](Ga[6]S[6]2Cl)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|C<4>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Cl<1>,1|C<3>,2|H<1>,2|S<2>}	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Cl){2|Cl<1>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	120.3105	1.705	6	120.3105	2.906	6	120.3105	2.906	6	120.5317	2.129	18	120.5403	2.969	38	120.8959	6.205	64
856	762	943	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:1:	3:3:3:1:	Ga[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:Cl-1:	N[6](Ga[6]C[6]2Cl)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	Ga[6](C[6]C[6]Si)2(N[6]C[6]2)(Cl)	N[6](Ga[6]C[6]2Cl)(C[6]C[6]H)2{2|Si<4>,2|H<1>,3|C<3>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	Ga[6](C[6]C[6]Si)2(N[6]C[6]2)(Cl){1|C<4>,2|C<3>,4|H<1>}	120.7405	7.022	2	120.7405	49.312	2	120.7405	49.312	2	120.7405	49.312	2	120.5403	2.969	38	120.8959	6.205	64
856	762	943	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:1:	3:3:3:2:	Ga[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N[6]-3:P-2:	N[6](Ga[6]N[6]2P)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	Ga[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PGa[5])	N[6](Ga[6]N[6]2P)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|P<2>,2|H<1>,2|N<3>}	Ga[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PGa[5]){2|C<4>,2|H<1>,7|C<3>}	120.7840	2.874	2	120.7840	8.258	2	120.7840	8.258	2	120.7840	8.258	2	120.5403	2.969	38	120.8959	6.205	64
856	762	943	6:SP2_SP-NON_SP2	N[3x6]	C[6]	Ga[4x6]	4:4:3:	3:3:3:	3:3:3:3:	Ga[4x6]-4:Ga[6,6]-4:C[6]-3:	N[3x6]-3:N[6]-3:C[6a]-3:	N[3x6]-3:N[6,6]-3:N[6,6]-3:N[6]-3:	N[3x6](Ga[4x6]N[6,6]2N[6])(Ga[6,6]N[6]2C)(C[6]C[6a]N[6])	C[6](N[3x6]Ga[4x6]Ga[6,6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2)	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6])	N[3x6](Ga[4x6]N[6,6]2N[6])(Ga[6,6]N[6]2C)(C[6]C[6a]N[6]){2|Ga<4>,1|H<1>,8|C<3>}	C[6](N[3x6]Ga[4x6]Ga[6,6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>,5|N<3>}	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6]){4|N<3>,5|C<4>,6|C<3>}	123.8790	0.000	1	123.8790	0.000	1	123.8790	0.000	1	123.8790	0.000	1	123.8790	0.000	1	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6,6]	C[6,6]	Ga[6]	4:3:3:	3:4:3:	3:3:1:1:	Ga[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:N[6,6]-3:Cl-1:Cl-1:	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	Ga[6](N[6,6]C[6,6]C[6])2(Cl)2	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	Ga[6](N[6,6]C[6,6]C[6])2(Cl)2{1|C<4>,2|H<1>,4|C<3>}	118.2105	0.056	2	118.2105	0.003	2	118.2105	0.003	2	118.2105	0.003	2	118.2105	0.003	2	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6,6]	C[6]	Ga[4x6]	4:3:4:	3:3:3:	3:3:3:3:	Ga[4x6]-4:C[6]-3:Ga[6]-4:	N[6,6]-3:N[6]-3:C[6a]-3:	N[3x6]-3:N[6,6]-3:N[6,6]-3:N[6]-3:	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC)	C[6](N[6,6]Ga[4x6]Ga[6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2)	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6])	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,8|C<3>}	C[6](N[6,6]Ga[4x6]Ga[6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>,4|N<3>}	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6]){4|N<3>,5|C<4>,6|C<3>}	122.9240	0.000	1	122.9240	0.000	1	122.3190	0.732	2	122.3190	0.732	2	122.3190	0.732	2	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6,6]	C[6]	Ga[4x6]	4:3:4:	3:3:3:	3:3:3:3:	Ga[4x6]-4:C[6]-3:Ga[6]-4:	N[6,6]-3:N[6]-3:C[6a]-3:	N[3x6]-3:N[6,6]-3:N[6,6]-3:N[6]-3:	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC)	C[6](N[6,6]Ga[4x6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2)	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6])	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,8|C<3>}	C[6](N[6,6]Ga[4x6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>,5|N<3>}	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6]){4|N<3>,5|C<4>,6|C<3>}	121.7140	0.000	1	121.7140	0.000	1	122.3190	0.732	2	122.3190	0.732	2	122.3190	0.732	2	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6,6]	C[6]	Ga[6,6]	4:3:4:	3:3:3:	3:3:2:4:	Ga[6,6]-4:C[6]-3:Ga[6]-4:	N[6,6]-3:N[6]-3:C[6a]-3:	O[6,6]-3:N[6,6]-3:N[6]-2:C-4:	N[6,6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])(Ga[6]N[6]CC)	C[6](N[6,6]Ga[6,6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2)	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3)	N[6,6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,5|C<3>}	C[6](N[6,6]Ga[6,6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<3>,2|H<1>,2|N<2>,4|C<3>,4|C<4>}	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3){1|N<2>,2|C<3>,3|N<3>,5|C<4>}	126.6450	0.000	1	126.6450	0.000	1	126.6450	0.000	1	126.6450	0.000	1	126.6450	0.000	1	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[4x6]	4:3:3:	3:3:3:	3:3:3:3:	Ga[4x6]-4:C[6]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6a]-3:	N[3x6]-3:N[6,6]-3:N[6,6]-3:N[6]-3:	N[6](Ga[4x6]N[3x6]N[6,6]2)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](N[6]Ga[4x6]C[6a])(N[6]Ga[6,6]H)(C[6a]C[6a]2)	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6])	N[6](Ga[4x6]N[3x6]N[6,6]2)(C[6]C[6a]N[6])(C[6a]C[6a]2){3|Ga<4>,3|H<1>,7|C<3>}	C[6](N[6]Ga[4x6]C[6a])(N[6]Ga[6,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>,4|N<3>}	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6]){4|N<3>,5|C<4>,6|C<3>}	125.7110	0.000	1	125.7110	0.000	1	125.7110	0.000	1	125.7110	0.000	1	125.7110	0.000	1	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6,6]	4:3:1:	3:3:3:	3:3:3:4:	Ga[6,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C[6a]-3:	N[3x6]-3:N[6]-3:N[6]-3:C-4:	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]C[6a]N[6])(H)	C[6](N[6]Ga[4x6]C[6a])(N[6]Ga[6,6]H)(C[6a]C[6a]2)	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]C[6a]N[6])(H){1|Ga<4>,6|C<3>}	C[6](N[6]Ga[4x6]C[6a])(N[6]Ga[6,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>,4|N<3>}	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){4|N<3>,5|C<3>}	130.7080	0.000	1	130.7080	0.000	1	130.7080	0.000	1	130.7080	0.000	1	127.9259	26.030	7	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6,6]	4:3:1:	3:3:4:	3:3:3:4:	Ga[6,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6,6]-3:N[6]-3:N[6]-3:C-4:	N[6](Ga[6,6]N[6,6]N[6]C)(C[6]N[6]C)(H)	C[6](N[6]Ga[6,6]C[6a])(N[6]Ga[6,6]H)(CH3)	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	N[6](Ga[6,6]N[6,6]N[6]C)(C[6]N[6]C)(H){1|Ga<4>,4|C<3>}	C[6](N[6]Ga[6,6]C[6a])(N[6]Ga[6,6]H)(CH3){2|C<3>,2|C<4>,3|N<3>}	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){2|C<3>,2|N<3>,3|C<4>}	133.3720	0.824	2	133.3720	0.680	2	133.3720	0.680	2	133.3720	0.680	2	127.9259	26.030	7	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6,6]	4:3:3:	3:3:3:	3:3:2:4:	Ga[6,6]-4:C[6]-3:C[6a]-3:	N[6,6]-3:N[6]-3:C[6a]-3:	O[6,6]-3:N[6]-3:N[6]-2:C-4:	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6](N[6,6]Ga[6,6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2)	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3)	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|Ga<4>,2|C<4>,5|C<3>}	C[6](N[6,6]Ga[6,6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<3>,2|H<1>,2|N<2>,4|C<3>,4|C<4>}	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3){1|N<2>,2|N<3>,3|C<4>,4|C<3>}	119.5840	0.000	1	119.5840	0.000	1	119.5840	0.000	1	119.5840	0.000	1	127.9259	26.030	7	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6,6]	4:3:3:	3:3:3:	3:3:3:4:	Ga[6,6]-4:C[6]-3:C[6a]-3:	N[6,6]-3:N[6]-3:C[6a]-3:	N[3x6]-3:N[6]-3:N[6]-3:C-4:	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6](N[6,6]Ga[4x6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2)	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2){2|Ga<4>,3|H<1>,6|C<3>}	C[6](N[6,6]Ga[4x6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>,5|N<3>}	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){4|N<3>,5|C<3>}	128.6020	0.000	1	128.6020	0.000	1	128.6020	0.000	1	128.6020	0.000	1	127.9259	26.030	7	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6,6]	4:3:3:	3:3:4:	3:3:3:4:	Ga[6,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C-4:	N[6,6]-3:N[6]-3:N[6]-3:C-4:	N[6](Ga[6,6]N[6,6]N[6]C)(C[6a]C[6a]2)(C[6]N[6]C)	C[6](N[6]Ga[6,6]C[6a])(N[6]Ga[6,6]H)(CH3)	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	N[6](Ga[6,6]N[6,6]N[6]C)(C[6a]C[6a]2)(C[6]N[6]C){1|Ga<4>,2|C<4>,2|H<1>,4|C<3>}	C[6](N[6]Ga[6,6]C[6a])(N[6]Ga[6,6]H)(CH3){2|C<3>,2|C<4>,3|N<3>}	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){2|C<3>,2|N<3>,3|C<4>}	124.9215	0.586	2	124.9215	0.344	2	124.9215	0.344	2	124.9215	0.344	2	127.9259	26.030	7	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	3:4:3:	3:3:1:	3:2:4:4:	C[6]-3:Ga[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:C-4:C-4:	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ga[6])(H)	Ga[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CH3)2	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ga[6])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	Ga[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CH3)2{1|H<1>,4|C<3>}	117.3990	0.000	1	117.3990	0.000	1	117.3990	0.000	1	117.3990	0.000	1	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	3:4:3:	3:3:3:	3:3:4:4:	C[6]-3:Ga[6]-4:C[6a]-3:	N[3x6]-3:N[6]-3:C[6a]-3:	N[6,6]-3:N[6]-3:C-4:C-4:	N[6](C[6]N[3x6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2)	C[6](N[3x6]Ga[4x6]Ga[6,6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2)	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2	N[6](C[6]N[3x6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2){2|Ga<4>,2|H<1>,5|C<3>}	C[6](N[3x6]Ga[4x6]Ga[6,6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>,5|N<3>}	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2{4|C<3>,4|N<3>}	123.9850	0.000	1	123.9850	0.000	1	123.9850	0.000	1	125.0600	2.311	2	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	3:4:3:	3:3:3:	3:3:4:4:	C[6]-3:Ga[6]-4:C[6a]-3:	N[6,6]-3:N[6]-3:C[6a]-3:	N[6,6]-3:N[6]-3:C-4:C-4:	N[6](C[6]N[6,6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2)	C[6](N[6,6]Ga[4x6]Ga[6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2)	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2	N[6](C[6]N[6,6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2){2|Ga<4>,2|H<1>,5|C<3>}	C[6](N[6,6]Ga[4x6]Ga[6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>,4|N<3>}	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2{4|C<3>,4|N<3>}	126.1350	0.000	1	126.1350	0.000	1	126.1350	0.000	1	125.0600	2.311	2	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	3:4:4:	3:3:1:	2:3:4:4:	C[6]-3:Ga[6]-4:C-4:	C[6,6a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:C-4:C-4:	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6]C)(H)	Ga[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)2	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(CCHH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	Ga[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)2{1|H<1>,2|C<3>}	120.4390	0.000	1	120.4390	0.000	1	120.4390	0.000	1	120.4390	0.000	1	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:1:	3:3:1:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:Cl-1:Cl-1:	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6a]C[6])(H)	Ga[6](N[6]C[6a]C[6])2(Cl)2	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6a]C[6])(H){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	Ga[6](N[6]C[6a]C[6])2(Cl)2{2|H<1>,5|C<3>}	120.1155	0.497	2	120.1155	0.247	2	120.1155	0.247	2	120.1155	0.247	2	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:2:	3:3:4:4:	Ga[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-2:	N[6,6]-3:N[6]-3:C-4:C-4:	N[6](Ga[6]N[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)(N[6]Ga[6,6])	Ga[6](N[6,6]Ga[6,6]C[6])(N[6]C[6a]C[6])(CH3)2	N[6](Ga[6]N[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2){1|Ga<4>,2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)(N[6]Ga[6,6]){1|N<3>,1|O<3>,2|H<1>,3|C<4>,4|C<3>}	Ga[6](N[6,6]Ga[6,6]C[6])(N[6]C[6a]C[6])(CH3)2{1|C<4>,1|N<2>,1|N<3>,1|O<3>,4|C<3>}	124.1120	0.000	1	124.1120	0.000	1	124.1120	0.000	1	124.5850	0.447	2	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:2:	3:3:4:4:	Ga[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-2:	O[6,6]-3:N[6]-3:C-4:C-4:	N[6](Ga[6]O[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)(N[6]Ga[6,6])	Ga[6](O[6,6]Ga[6,6]2)(N[6]C[6a]C[6])(CH3)2	N[6](Ga[6]O[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|Ga<4>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)(N[6]Ga[6,6]){1|N<3>,1|O<3>,2|H<1>,3|C<4>,4|C<3>}	Ga[6](O[6,6]Ga[6,6]2)(N[6]C[6a]C[6])(CH3)2{2|C<4>,2|N<2>,2|N<3>,3|C<3>}	125.0580	0.000	1	125.0580	0.000	1	125.0580	0.000	1	124.5850	0.447	2	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:1:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:Cl-1:Cl-1:	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(Cl)2	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	Ga[6](N[6]C[6a]C[6])2(Cl)2{2|C<4>,5|C<3>}	118.0240	0.276	2	118.0240	0.076	2	118.0240	0.076	2	117.8535	0.114	4	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:1:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:I-1:I-1:	N[6](Ga[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(I)2	N[6](Ga[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	Ga[6](N[6]C[6a]C[6])2(I)2{2|C<4>,5|C<3>}	117.6830	0.387	2	117.6830	0.150	2	117.6830	0.150	2	117.8535	0.114	4	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:2:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-2:Cl-1:	N[6](Ga[6]N[6]ClO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(OGa[6])(Cl)	N[6](Ga[6]N[6]ClO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	Ga[6](N[6]C[6a]C[6])2(OGa[6])(Cl){2|C<4>,5|C<3>}	121.3205	0.121	2	121.3205	0.015	2	121.3205	0.015	2	120.2520	0.608	8	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:2:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-2:H-1:	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(OP)(H)	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	Ga[6](N[6]C[6a]C[6])2(OP)(H){2|C<4>,5|C<3>}	120.0673	0.420	4	120.0673	0.177	4	119.8958	0.240	6	120.2520	0.608	8	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:2:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-2:H-1:	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(OS)(H)	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	Ga[6](N[6]C[6a]C[6])2(OS)(H){2|C<4>,5|C<3>}	119.5530	0.561	2	119.5530	0.315	2	119.8958	0.240	6	120.2520	0.608	8	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:2:2:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-2:O-2:	N[6](Ga[6]N[6]OO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(OGa[6])(OH)	N[6](Ga[6]N[6]OO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	Ga[6](N[6]C[6a]C[6])2(OGa[6])(OH){2|C<4>,5|C<3>}	122.5135	0.233	2	122.5135	0.054	2	122.5135	0.054	2	122.5135	0.054	2	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:3:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:Ga-3:I-1:	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	Ga[6](N[6]C[6a]C[6])2(GaGaI)(I)	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<3>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	Ga[6](N[6]C[6a]C[6])2(GaGaI)(I){2|C<4>,5|C<3>}	115.9770	1.481	2	115.9770	2.192	2	115.9770	2.192	2	117.7190	5.408	4	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:3:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	P[5,5]-3:N[6]-3:N[6]-3:Cl-1:	N[6](Ga[6]P[5,5]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(Cl)	N[6](Ga[6]P[5,5]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(Cl){1|Ga<4>,2|C<4>,3|P<3>,5|C<3>}	119.4610	1.376	2	119.4610	1.893	2	119.4610	1.893	2	117.7190	5.408	4	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:3:2:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:N-3:N-2:	N[6](Ga[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(NSi2)(NN)	N[6](Ga[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	Ga[6](N[6]C[6a]C[6])2(NSi2)(NN){2|C<4>,5|C<3>}	118.4475	0.353	2	118.4475	0.125	2	118.4475	0.125	2	119.4408	4.750	8	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:3:2:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:N-3:O-2:	N[6](Ga[6]N[6]NO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(NCH)(OSi)	N[6](Ga[6]N[6]NO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	Ga[6](N[6]C[6a]C[6])2(NCH)(OSi){2|C<4>,5|C<3>}	120.4905	0.166	2	120.4905	0.028	2	120.4905	0.028	2	119.4408	4.750	8	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:3:2:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:N[6]-3:P-2:	N[6](Ga[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PGa[5])	N[6](Ga[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|P<2>,2|C<3>,2|N<3>}	Ga[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PGa[5]){2|C<4>,2|H<1>,7|C<3>}	122.0775	0.114	2	122.0775	0.013	2	122.0775	0.013	2	119.4408	4.750	8	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:3:2:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	P[5,5]-3:N[6]-3:N[6]-3:O-2:	N[6](Ga[6]P[5,5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(OS)	N[6](Ga[6]P[5,5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,1|P<3>,2|C<3>}	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(OS){1|Ga<4>,2|C<4>,3|P<3>,5|C<3>}	116.7475	0.702	2	116.7475	0.493	2	116.7475	0.493	2	119.4408	4.750	8	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:As[4]-3:C[5]-4:	N[6](Ga[6]As[4]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(As[4]As[4]2)(C[5]C[5]2C)	N[6](Ga[6]As[4]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|As<2>,1|H<1>,3|C<4>,6|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|As<3>,1|N<3>,2|C<3>,2|C<4>}	Ga[6](N[6]C[6a]C[6])2(As[4]As[4]2)(C[5]C[5]2C){1|Ga<4>,4|C<4>,7|C<3>}	110.9895	1.087	2	110.9895	1.181	2	110.9895	1.181	2	117.2506	16.787	8	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:C[6a]-3:C-4:	N[6](Ga[6]C[6a]N[6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(CC[6a]HO)	N[6](Ga[6]C[6a]N[6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	Ga[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(CC[6a]HO){2|C<4>,2|F<1>,7|C<3>}	117.4235	0.227	2	117.4235	0.052	2	117.4235	0.052	2	117.2506	16.787	8	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:In-3:C-4:	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(InGa[6]C)(CCHH)	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|In<3>,1|N<3>,2|C<3>,2|C<4>}	Ga[6](N[6]C[6a]C[6])2(InGa[6]C)(CCHH){2|C<4>,5|C<3>}	120.2947	0.500	4	120.2947	0.250	4	120.2947	0.250	4	117.2506	16.787	8	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:4:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:C-4:Cl-1:	N[6](Ga[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(CC3)(Cl)	N[6](Ga[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	Ga[6](N[6]C[6a]C[6])2(CC3)(Cl){2|C<4>,5|C<3>}	118.1850	0.102	2	118.1850	0.010	2	118.1850	0.010	2	118.0614	0.896	7	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:4:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:Ga-4:I-1:	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)(I)	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<4>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)(I){2|C<4>,5|C<3>}	118.6760	1.860	2	118.6760	3.458	2	118.6760	3.458	2	118.0614	0.896	7	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:4:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:P[6]-4:I-1:	N[6](Ga[6]N[6]P[6]I)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(P[6]C[6]2Fe)(I)	N[6](Ga[6]N[6]P[6]I)(C[6a]C[6a]2)(C[6]C[6]C){1|Fe<11>,1|H<1>,4|C<3>,4|C<4>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|I<1>,1|N<3>,1|P<4>,2|C<3>}	Ga[6](N[6]C[6a]C[6])2(P[6]C[6]2Fe)(I){4|C<4>,7|C<3>}	117.5715	0.629	2	117.5715	0.395	2	117.5715	0.395	2	118.0614	0.896	7	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:4:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:Si-4:Cl-1:	N[6](Ga[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(SiCl3)(Cl)	N[6](Ga[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>,2|C<3>}	Ga[6](N[6]C[6a]C[6])2(SiCl3)(Cl){2|C<4>,5|C<3>}	117.5650	0.000	1	117.5650	0.000	1	117.5650	0.000	1	118.0614	0.896	7	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:4:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:C-4:C-4:	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(CCHH)2	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	Ga[6](N[6]C[6a]C[6])2(CCHH)2{2|C<4>,5|C<3>}	120.0530	0.175	2	120.0530	0.031	2	121.5011	6.339	8	121.3068	5.113	10	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:4:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:C-4:C-4:	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(CH3)2	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	Ga[6](N[6]C[6a]C[6])2(CH3)2{2|C<4>,5|C<3>}	121.9838	2.784	6	121.9838	7.751	6	121.5011	6.339	8	121.3068	5.113	10	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:3:	3:3:4:	3:3:4:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:In-4:C-4:	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6a]C[6])2(InC[5]CC)(CCHH)	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|In<4>,1|N<3>,2|C<3>,2|C<4>}	Ga[6](N[6]C[6a]C[6])2(InC[5]CC)(CCHH){2|C<4>,5|C<3>}	120.5295	0.363	2	120.5295	0.132	2	120.5295	0.132	2	121.3068	5.113	10	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:4:	3:3:4:	3:2:1:1:	Ga[6]-4:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	N[6]-3:O[6]-2:Cl-1:Cl-1:	N[6](Ga[6]O[6]Cl2)(C[6]C[6]C)(CCCH)	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6]C)(O[6]C[6])(Cl)2	N[6](Ga[6]O[6]Cl2)(C[6]C[6]C)(CCCH){1|C<3>,1|H<1>}	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|O<2>}	Ga[6](N[6]C[6]C)(O[6]C[6])(Cl)2{1|C<3>,2|C<4>}	119.2330	0.000	1	119.2330	0.000	1	119.2330	0.000	1	119.2330	0.000	1	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:4:	3:3:4:	3:2:3:3:	Ga[6]-4:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	N[6]-3:O[6]-2:N-3:N-3:	N[6](Ga[6]O[6]NN)(C[6]C[6]C)(CCCH)	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3)	Ga[6](N[6]C[6]C)(O[6]C[6])(NCC)2	N[6](Ga[6]O[6]NN)(C[6]C[6]C)(CCCH){1|C<3>,1|H<1>}	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<3>}	Ga[6](N[6]C[6]C)(O[6]C[6])(NCC)2{1|C<3>,2|C<4>}	121.8490	0.000	1	121.8490	0.000	1	121.8490	0.000	1	121.8490	0.000	1	119.7761	8.429	62	120.7749	15.697	76
856	762	943	6:SP2_SP-NON_SP2	N[6]	C[6]	Ga[6]	4:3:4:	4:3:1:	3:3:4:4:	Ga[6]-4:C[6]-3:C-4:	Ga[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:C-4:	N[6](Ga[6]C[6]CC)(C[6]Ga[6]H)(CH3)	C[6](Ga[6]N[6]CC)(N[6]Ga[6]C)(H)	Ga[6](C[6]N[6]H)(N[6]C[6]C)(CC3)2	N[6](Ga[6]C[6]CC)(C[6]Ga[6]H)(CH3){1|H<1>,1|N<3>,2|C<4>}	C[6](Ga[6]N[6]CC)(N[6]Ga[6]C)(H){1|C<3>,3|C<4>}	Ga[6](C[6]N[6]H)(N[6]C[6]C)(CC3)2{1|Ga<4>,1|C<4>,1|H<1>}	125.3140	0.000	1	125.3140	0.000	1	125.3140	0.000	1	125.3140	0.000	1	119.7761	8.429	62	120.7749	15.697	76
856	762	944	0:SP2_SP-NON_SP2	N[6]	C[6]	I	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:I-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	I(N[6]C[6]2)	N[6](C[6]C[6]H)2(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(N[6]C[6]2)	120.5080	1.138	2	120.6576	4.275	8	120.6576	4.275	8	120.6576	4.275	8	120.6576	4.275	8	120.6576	4.275	8
856	762	944	0:SP2_SP-NON_SP2	N[6]	C[6]	I	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:I-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	I(N[6]C[6]2)	N[6](C[6]C[6]H)2(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(N[6]C[6]2)	121.1395	2.524	4	120.6576	4.275	8	120.6576	4.275	8	120.6576	4.275	8	120.6576	4.275	8	120.6576	4.275	8
856	762	944	0:SP2_SP-NON_SP2	N[6]	C[6]	I	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:I-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	I(N[6]C[6]2)	N[6](C[6]C[6]H)2(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,2|H<1>}	I(N[6]C[6]2)	119.8435	2.685	2	120.6576	4.275	8	120.6576	4.275	8	120.6576	4.275	8	120.6576	4.275	8	120.6576	4.275	8
856	762	945	0:SP2_SP2_SP3	N[6]	C[6]	P	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:N-3:Cl-1:	N[6](C[6]C[6]H)2(PClN)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	P(N[6]C[6]2)(NSi2)(Cl)	N[6](C[6]C[6]H)2(PClN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(N[6]C[6]2)(NSi2)(Cl)	121.1385	10.609	2	121.1385	112.545	2	121.1385	112.545	2	121.1385	112.545	2	120.8197	31.499	12	120.8197	31.499	12
856	762	945	0:SP2_SP2_SP3	N[6]	C[6]	P	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:P-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)2(PN[6]N)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	P(N[6]C[6]2)2(NC[6a])	N[6](C[6]C[6]H)2(PN[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(N[6]C[6]2)2(NC[6a])	121.0877	4.880	4	121.0877	23.819	4	121.0877	23.819	4	121.0877	23.819	4	120.8197	31.499	12	120.8197	31.499	12
856	762	945	0:SP2_SP2_SP3	N[6]	C[6]	P	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:P-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6]H)2(PC[6a]2)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	P(C[6a]C[6a]2)2(N[6]C[6]2)	N[6](C[6]C[6]H)2(PC[6a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)2(N[6]C[6]2)	119.6795	5.038	2	119.6795	25.383	2	119.6795	25.383	2	119.6795	25.383	2	120.8197	31.499	12	120.8197	31.499	12
856	762	945	0:SP2_SP2_SP3	N[6]	C[6]	P	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:P-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:P-3:	N[6](C[6]C[6]H)2(PCP)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	P(N[6]C[6]2)(CC3)(PCP)	N[6](C[6]C[6]H)2(PCP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(N[6]C[6]2)(CC3)(PCP)	120.9622	6.682	4	120.9622	44.646	4	120.9622	44.646	4	120.9622	44.646	4	120.8197	31.499	12	120.8197	31.499	12
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	3:4:1:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:O-1:	N[6,6]-3:	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)	C[6,6](N[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(O)	H(N[6,6]C[5,3x6]C[6,6])	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	C[6,6](N[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(N[6,6]C[5,3x6]C[6,6])	121.9320	0.000	1	121.9320	0.000	1	121.9320	0.000	1	121.9320	0.000	1	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6]-3:	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O)	H(N[6,6]C[3x6]C[6,6])	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O){1|C<3>,1|H<1>,2|C<4>}	H(N[6,6]C[3x6]C[6,6])	121.7120	0.000	1	121.7120	0.000	1	121.5037	0.397	18	121.4331	0.595	37	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6]-3:	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O)	H(N[6,6]C[3x6]C[6,6])	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[6,6]C[3x6]C[6,6])	121.6912	0.262	6	121.6912	0.069	6	121.5037	0.397	18	121.4331	0.595	37	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6]-3:	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2C[6a])(N[6,6]C[3x6]H)(O)	H(N[6,6]C[3x6]C[6,6])	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C[6a])(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(N[6,6]C[3x6]C[6,6])	121.3023	0.205	4	121.3023	0.042	4	121.5037	0.397	18	121.4331	0.595	37	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6]-3:	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O)	H(N[6,6]C[3x6]C[6,6])	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[6,6]C[3x6]C[6,6])	121.9160	0.020	2	121.9160	0.000	2	121.5037	0.397	18	121.4331	0.595	37	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6]-3:	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O)	H(N[6,6]C[3x6]C[6,6])	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(N[6,6]C[3x6]C[6,6])	121.7035	0.228	2	121.7035	0.052	2	121.5037	0.397	18	121.4331	0.595	37	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6]-3:	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O)	H(N[6,6]C[3x6]C[6,6])	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(N[6,6]C[3x6]C[6,6])	121.7740	0.018	2	121.7740	0.000	2	121.5037	0.397	18	121.4331	0.595	37	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6]-3:	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O)	H(N[6,6]C[3x6]C[6,6])	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O){1|C<3>,1|S<2>,2|C<4>}	H(N[6,6]C[3x6]C[6,6])	119.2120	0.000	1	119.2120	0.000	1	121.5037	0.397	18	121.4331	0.595	37	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:N[6,6]-3:O-1:	N[6,6]-3:	N[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[4x6]O)(H)	C[6,6](C[4x6]C[3x6]2Cl)(N[6,6]C[3x6]H)(O)	H(N[6,6]C[3x6]C[6,6])	N[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[4x6]O)(H){1|Cl<1>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]2Cl)(N[6,6]C[3x6]H)(O){1|Cl<1>,2|H<1>,4|C<4>}	H(N[6,6]C[3x6]C[6,6])	119.6200	0.000	1	119.6200	0.000	1	119.6200	0.000	1	121.4331	0.595	37	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6]-3:	N[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[5,3x6]O)(H)	C[6,6](C[5,3x6]C[5,6,6]2Cl)(N[6,6]C[3x6]H)(O)	H(N[6,6]C[3x6]C[6,6])	N[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[5,3x6]O)(H){1|Cl<1>,2|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2Cl)(N[6,6]C[3x6]H)(O){1|Cl<1>,2|H<1>,4|C<4>}	H(N[6,6]C[3x6]C[6,6])	119.7640	0.000	1	119.7640	0.000	1	119.7640	0.000	1	121.4331	0.595	37	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	4:3:1:	3:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6]-3:	N[6,6](C[4x6]C[6,6a]C[3x6]N[6,6])(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[4x6]H)(O)	H(N[6,6]C[4x6]C[6,6])	N[6,6](C[4x6]C[6,6a]C[3x6]N[6,6])(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[4x6]H)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(N[6,6]C[4x6]C[6,6])	121.8965	0.264	4	121.8965	0.070	4	121.8965	0.070	4	121.4331	0.595	37	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	4:3:1:	3:	C[4x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6]-3:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O)	H(N[6,6]C[4x6]C[6,6])	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O){1|C<3>,4|C<4>,4|H<1>}	H(N[6,6]C[4x6]C[6,6])	121.3095	0.297	4	121.3302	0.112	8	121.3302	0.112	8	121.4331	0.595	37	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	4:3:1:	3:	C[4x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6]-3:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O)	H(N[6,6]C[4x6]C[6,6])	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O){1|C<3>,4|C<4>,4|H<1>}	H(N[6,6]C[4x6]C[6,6])	121.4720	0.000	1	121.3302	0.112	8	121.3302	0.112	8	121.4331	0.595	37	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	4:3:1:	3:	C[4x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6]-3:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O)	H(N[6,6]C[4x6]C[6,6])	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O){1|C<3>,4|C<4>,4|H<1>}	H(N[6,6]C[4x6]C[6,6])	121.0230	0.000	2	121.3302	0.112	8	121.3302	0.112	8	121.4331	0.595	37	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	4:3:1:	3:	C[4x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6]-3:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O)	H(N[6,6]C[4x6]C[6,6])	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H){1|N<3>,4|C<4>,5|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O){4|H<1>,5|C<4>}	H(N[6,6]C[4x6]C[6,6])	121.8860	0.000	1	121.3302	0.112	8	121.3302	0.112	8	121.4331	0.595	37	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	4:3:1:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:N[6,6]-3:O-1:	N[6,6]-3:	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[4x6]O)(H)	C[6,6](C[4x6]C[6,6]N[3x6]C[6])(N[6,6]C[5,3x6]H)(O)	H(N[6,6]C[5,3x6]C[6,6])	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[4x6]O)(H){1|N<3>,4|C<4>,5|H<1>}	C[6,6](C[4x6]C[6,6]N[3x6]C[6])(N[6,6]C[5,3x6]H)(O){4|H<1>,5|C<4>}	H(N[6,6]C[5,3x6]C[6,6])	122.9420	0.000	2	122.9420	0.000	2	122.9420	0.000	2	121.4331	0.595	37	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	4:3:1:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6]-3:	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]N)(C[6,6]C[5,3x6]O)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O)	H(N[6,6]C[5,3x6]C[6,6])	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]N)(C[6,6]C[5,3x6]O)(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O){1|N<3>,2|H<1>,4|C<4>}	H(N[6,6]C[5,3x6]C[6,6])	120.2400	0.000	1	120.2400	0.000	1	120.8203	0.443	3	121.4331	0.595	37	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	4:3:1:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6]-3:	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(C[6,6]C[5,3x6]O)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O)	H(N[6,6]C[5,3x6]C[6,6])	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(C[6,6]C[5,3x6]O)(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O){1|O<2>,2|H<1>,4|C<4>}	H(N[6,6]C[5,3x6]C[6,6])	120.6740	0.000	1	120.6740	0.000	1	120.8203	0.443	3	121.4331	0.595	37	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	4:3:1:	3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6]-3:	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]H)(O)	H(N[6,6]C[5,3x6]C[6,6])	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]H)(O){1|C<3>,4|C<4>,4|H<1>}	H(N[6,6]C[5,3x6]C[6,6])	121.5470	0.000	1	121.5470	0.000	1	120.8203	0.443	3	121.4331	0.595	37	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6,6]	C[6,6]	H	4:3:1:	4:3:2:	3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:N-2:	N[6,6]-3:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(NC[5])	H(N[6,6]C[3x6]C[6,6])	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(NC[5]){2|C<4>,5|H<1>}	H(N[6,6]C[3x6]C[6,6])	122.0630	0.000	1	122.0630	0.000	1	122.0630	0.000	1	122.0630	0.000	1	121.4620	0.580	39	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:2:	3:	C[6,6]-3:C[6]-3:H-1:	N[6,6,6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N)(H)	C[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]H)(N[6]C[6])	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N)(H){3|C<3>}	C[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]H)(N[6]C[6]){6|N<2>}	H(N[6]C[6,6]C[6])	119.4700	0.000	1	119.4700	0.000	1	119.4700	0.000	1	117.0665	11.554	2	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6,6]-3:H-1:	N[6]-3:C[6,6]-3:O[6]-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(O[6]B[6])	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	H(N[6]C[6,6a]C[6,6])	114.6630	0.000	1	114.6630	0.000	1	114.6630	0.000	1	117.0665	11.554	2	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6,6]-3:H-1:	N[6,6]-3:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]C[6])2(H)	C[6,6](N[6,6]In[6]C[6])(N[6]C[6,6]H)(C[6]C[6]H)	H(N[6]C[6,6]2)	N[6](C[6,6]N[6,6]C[6])2(H){1|In<6>,2|H<1>,4|C<3>}	C[6,6](N[6,6]In[6]C[6])(N[6]C[6,6]H)(C[6]C[6]H){3|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6]2)	115.1065	0.022	2	115.1065	0.000	2	115.1065	0.000	2	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6,6a]-3:H-1:	C[5a,6,6]-3:C[5a,6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[5a,6,6]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6]C[5a,6,6]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H){1|B<4>,1|H<1>,6|C<3>}	H(N[6]C[6,6a]C[6,6])	118.0580	0.000	1	118.0580	0.000	1	118.0580	0.000	1	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	H(N[6]C[6,6]C[6])	120.5620	0.000	1	120.5620	0.000	1	120.5620	0.000	1	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	H(N[6]C[6,6]C[6])	116.6140	0.000	1	116.6140	0.000	1	117.7300	0.991	3	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]S[6])(C[6]C[5a,6]O)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[5a,6]O)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,3|O<1>}	H(N[6]C[6,6]C[6])	118.2880	0.337	2	118.2880	0.113	2	117.7300	0.991	3	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(N[6]C[6,6]C[6])	118.4690	0.000	1	118.4690	0.000	1	119.9323	3.133	9	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	H(N[6]C[6,6]C[6])	119.1820	1.492	5	119.1820	2.226	5	119.9323	3.133	9	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	H(N[6]C[6,6]C[6])	121.6707	1.034	3	121.6707	1.070	3	119.9323	3.133	9	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6,6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(N[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	H(N[6]C[6,6]C[6])	119.4970	0.000	1	119.4970	0.000	1	119.4970	0.000	1	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]O)(H)	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]O)(H){1|C<2>,1|C<4>,3|C<3>}	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(N[6]C[6,6]C[6])	117.0410	0.000	2	117.0410	0.000	2	117.4675	0.243	4	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]C)(H){2|C<4>,3|C<3>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6]C[6])	117.8940	0.016	2	117.8940	0.000	2	117.4675	0.243	4	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[3x6]-3:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H)	C[6,6](C[3x6]C[5,6,6]C[6,6])(N[6]C[6,6a]H)(C[6]N[6]O)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6])(N[6]C[6,6a]H)(C[6]N[6]O){7|C<3>}	H(N[6]C[6,6a]C[6,6])	120.1950	0.000	1	120.1950	0.000	1	120.1950	0.000	1	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6,6])	115.7070	0.000	1	117.5575	1.561	4	117.5575	1.561	4	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|Ru<6>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6,6])	118.1743	0.243	3	117.5575	1.561	4	117.5575	1.561	4	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6]-3:N[6]-3:C[6,6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)(C[6,6]C[6]2)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|O<1>,4|C<3>}	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)(C[6,6]C[6]2){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	H(N[6]C[6,6a]C[6,6])	121.5500	2.615	3	121.5500	6.836	3	121.5500	6.836	3	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	N[6,6]-3:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]Br)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|Br<1>,1|B<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]Br){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	H(N[6]C[6,6a]C[6,6])	117.1490	0.000	1	117.1490	0.000	1	117.0323	0.050	3	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	N[6,6]-3:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|B<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|F<1>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6,6])	116.7740	0.000	1	116.9740	0.080	2	117.0323	0.050	3	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	N[6,6]-3:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|B<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){2|H<1>,5|C<3>}	H(N[6]C[6,6a]C[6,6])	117.1740	0.000	1	116.9740	0.080	2	117.0323	0.050	3	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6,6])	116.2410	0.000	1	116.2410	0.000	1	118.7595	12.686	2	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]C)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H){3|C<3>,3|C<4>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	H(N[6]C[6,6a]C[6,6])	121.2780	0.000	1	121.2780	0.000	1	118.7595	12.686	2	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	N[6]-3:N[6,6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]C)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6,6])	112.6265	3.188	2	112.6265	10.166	2	112.6265	10.166	2	118.3257	6.597	36	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:4:	3:	C[5,6]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[6]-3:	N[6](C[5,6]N[5,6]N[5])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH)	H(N[6]C[5,6]C[6,6])	N[6](C[5,6]N[5,6]N[5])(C[6,6]C[6,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	H(N[6]C[5,6]C[6,6])	116.7435	0.705	2	116.7435	0.497	2	116.7435	0.497	2	119.3700	2.775	64	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	H(N[6]C[5a,6]C[6,6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	H(N[6]C[5a,6]C[6,6])	120.8935	0.660	2	120.8935	0.435	2	120.4631	1.209	7	119.3700	2.775	64	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[6]-3:	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	H(N[6]C[5a,6]C[6,6])	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(N[6]C[5a,6]C[6,6])	121.6000	0.000	1	121.5675	0.002	2	120.4631	1.209	7	119.3700	2.775	64	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[6]-3:	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	H(N[6]C[5a,6]C[6,6])	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	H(N[6]C[5a,6]C[6,6])	121.5350	0.000	1	121.5675	0.002	2	120.4631	1.209	7	119.3700	2.775	64	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	H(N[6]C[5a,6]C[6,6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(N[6]C[5a,6]C[6,6])	119.4400	0.657	3	119.4400	0.432	3	120.4631	1.209	7	119.3700	2.775	64	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:C[6,6]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(N[6]C[5a,6]C[6,6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(N[6]C[5a,6]C[6,6])	128.8390	0.000	1	122.9282	15.543	4	122.4480	12.810	5	119.3700	2.775	64	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:C[6,6]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(N[6]C[5a,6]C[6,6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	H(N[6]C[5a,6]C[6,6])	120.9580	0.150	3	122.9282	15.543	4	122.4480	12.810	5	119.3700	2.775	64	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:C[6,6]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(N[6]C[5a,6]C[6,6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	H(N[6]C[5a,6]C[6,6])	120.5270	0.000	1	120.5270	0.000	1	122.4480	12.810	5	119.3700	2.775	64	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:4:	3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	H(N[6]C[6,6]2)	N[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(N[6]C[6,6]2)	119.4825	2.587	2	119.1175	0.859	36	119.1175	0.859	36	119.3700	2.775	64	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:4:	3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	H(N[6]C[6,6]2)	N[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(N[6]C[6,6]2)	119.1476	0.879	29	119.1175	0.859	36	119.1175	0.859	36	119.3700	2.775	64	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:4:	3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	H(N[6]C[6,6]2)	N[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6]2)	118.7970	0.483	5	119.1175	0.859	36	119.1175	0.859	36	119.3700	2.775	64	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a]H)(C[6]C[6]HH)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	H(N[6]C[6,6a]C[6,6])	116.8490	0.000	1	116.8490	0.000	1	116.8490	0.000	1	119.3700	2.775	64	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6,6]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6,6])	117.9200	0.000	1	118.9591	0.248	9	118.9875	0.205	11	119.3700	2.775	64	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6,6]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(N[6]C[6,6a]C[6,6])	119.6210	0.000	1	118.9591	0.248	9	118.9875	0.205	11	119.3700	2.775	64	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6,6]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(N[6]C[6,6a]C[6,6])	119.0838	0.212	5	118.9591	0.248	9	118.9875	0.205	11	119.3700	2.775	64	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6,6]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6,6])	118.8360	0.426	2	118.9591	0.248	9	118.9875	0.205	11	119.3700	2.775	64	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6,6]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(N[6]C[6,6a]C[6,6])	119.1155	0.142	2	119.1155	0.020	2	118.9875	0.205	11	119.3700	2.775	64	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6,6]-3:H-1:	N[6]-3:N[6,6]-3:C[6]-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	H(N[6]C[6,6a]C[6,6])	118.3860	1.423	2	118.3860	2.024	2	118.3860	2.024	2	119.3700	2.775	64	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:4:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(N[6]C[6,6]C[6])	118.3428	1.343	9	118.1661	2.135	17	118.3250	1.609	24	118.2533	1.671	25	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:4:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6]C[6])	117.9673	1.653	8	118.1661	2.135	17	118.3250	1.609	24	118.2533	1.671	25	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:4:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]S[6]HH)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]S[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(N[6]C[6,6]C[6])	118.9210	0.000	1	118.9210	0.000	1	118.3250	1.609	24	118.2533	1.671	25	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:4:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(N[6]C[6,6]C[6])	117.9320	0.000	1	117.9320	0.000	1	118.3250	1.609	24	118.2533	1.671	25	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:4:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(N[6]C[6,6]C[6])	119.0855	0.112	2	119.0855	0.013	2	118.3250	1.609	24	118.2533	1.671	25	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:4:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(N[6]C[6,6]C[6])	118.4700	0.000	1	118.4700	0.000	1	118.3250	1.609	24	118.2533	1.671	25	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:4:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(N[6]C[6,6]C[6])	119.1780	0.000	1	119.1780	0.000	1	118.3250	1.609	24	118.2533	1.671	25	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:4:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]N[6]S)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]N[6]S)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|H<1>}	H(N[6]C[6,6]C[6])	118.3040	0.000	1	118.3040	0.000	1	118.3250	1.609	24	118.2533	1.671	25	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:4:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6,6]-4:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]S[6]H)(N[6]C[6,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(N[6]C[6,6a]C[6,6])	116.5330	0.000	1	116.5330	0.000	1	116.5330	0.000	1	118.2533	1.671	25	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	H(N[6]C[6,6]C[6])	119.0590	0.000	1	119.0590	0.000	1	119.0590	0.000	1	116.4880	3.737	7	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6]-4:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|C<4>,5|C<3>}	H(N[6]C[6,6a]C[6,6])	115.5390	0.328	2	115.5390	0.108	2	115.7013	0.405	4	116.4880	3.737	7	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6]-4:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5a,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[5a,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|N<3>,5|C<3>}	H(N[6]C[6,6a]C[6,6])	116.5710	0.000	1	116.5710	0.000	1	115.7013	0.405	4	116.4880	3.737	7	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6]-4:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|C<4>,1|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6,6])	115.1560	0.000	1	115.1560	0.000	1	115.7013	0.405	4	116.4880	3.737	7	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	P[6]-4:C[6,6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]P[6])(H)	C[6,6](P[6]C[6,6a]C[6a]2)(C[6,6]N[6]P[6])(N[6]C[6,6a]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]P[6])(H){1|H<1>,1|N<3>,1|P<4>,5|C<3>}	C[6,6](P[6]C[6,6a]C[6a]2)(C[6,6]N[6]P[6])(N[6]C[6,6a]H){10|C<3>,1|H<1>}	H(N[6]C[6,6a]C[6,6])	116.7760	3.458	2	116.7760	11.956	2	116.7760	11.956	2	116.4880	3.737	7	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	5:3:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6]-5:C[6,6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6]C[6]OYY)(C[6,6]C[6]2)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|Y<14>,1|H<1>,1|O<3>,3|C<3>}	C[6,6](C[6]C[6]OYY)(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6,6]C[6])	120.8940	0.000	1	120.8940	0.000	1	120.5500	0.237	2	120.5500	0.237	2	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	5:3:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6]-5:C[6,6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6]C[6]Yb2O)(C[6,6]C[6]2)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|Yb<14>,1|H<1>,1|O<3>,3|C<3>}	C[6,6](C[6]C[6]Yb2O)(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6,6]C[6])	120.2060	0.000	1	120.2060	0.000	1	120.5500	0.237	2	120.5500	0.237	2	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:2:	3:	C[6,6]-3:B[6]-4:H-1:	C[6,6]-3:N[6]-3:O[6]-2:	N[6]-3:	N[6](C[6,6]C[6,6]O[6])(B[6]N[6]FF)(H)	C[6,6](C[6,6]C[5,6]N[6])(N[6]B[6]H)(O[6]B[6])	H(N[6]C[6,6]B[6])	N[6](C[6,6]C[6,6]O[6])(B[6]N[6]FF)(H){1|B<4>,1|N<2>,2|C<3>}	C[6,6](C[6,6]C[5,6]N[6])(N[6]B[6]H)(O[6]B[6]){1|S<2>,2|N<3>,4|F<1>}	H(N[6]C[6,6]B[6])	116.6155	0.288	2	116.6155	0.083	2	116.6155	0.083	2	117.0340	0.376	4	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:2:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6])	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H){2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6]){3|C<4>,7|H<1>}	H(N[6]C[6,6]C[6])	117.0380	0.000	1	117.0380	0.000	1	117.4525	0.344	2	117.0340	0.376	4	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:2:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6])	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){5|C<4>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6]){2|C<4>,8|H<1>}	H(N[6]C[6,6]C[6])	117.8670	0.000	1	117.8670	0.000	1	117.4525	0.344	2	117.0340	0.376	4	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6,6]-4:H-1:	N[5,6,6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[5,6,6]N[6])(C[6,6]C[6]2O[6])(H)	C[6,6](N[5,6,6]C[5,6]2)(N[6]C[6,6]H)(N[6]C[6]H)	H(N[6]C[6,6]2)	N[6](C[6,6]N[5,6,6]N[6])(C[6,6]C[6]2O[6])(H){1|C<3>,4|H<1>,5|C<4>}	C[6,6](N[5,6,6]C[5,6]2)(N[6]C[6,6]H)(N[6]C[6]H){2|H<1>,2|O<2>,6|C<4>}	H(N[6]C[6,6]2)	117.7810	0.000	1	117.7810	0.000	1	117.7810	0.000	1	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:N[6,6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]CC)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]CC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(N[6]C[6,6]C[6])	114.5030	0.000	1	114.5030	0.000	1	114.5030	0.000	1	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6]C[6])	115.6820	0.000	1	115.6820	0.000	1	115.6820	0.000	1	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[5,6,6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[5,6,6]N[6])(C[6]C[6]CO)(H)	C[6,6](N[5,6,6]C[5,6]2)(N[6]C[6,6]H)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[5,6,6]N[6])(C[6]C[6]CO)(H){3|C<4>,3|H<1>}	C[6,6](N[5,6,6]C[5,6]2)(N[6]C[6,6]H)(N[6]C[6]H){2|H<1>,2|O<2>,6|C<4>}	H(N[6]C[6,6]C[6])	117.6100	0.000	1	117.6100	0.000	1	117.6100	0.000	1	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(N[6]C[6,6]C[6])	117.4880	0.000	1	117.4880	0.000	1	116.6628	2.182	10	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[5,6]C[6])(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[5,6]C[6])(C[6]C[6]C)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(N[6]C[6,6]C[6])	116.6520	0.000	1	116.6520	0.000	1	116.6628	2.182	10	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H){4|C<4>,6|H<1>}	H(N[6]C[6,6]C[6])	117.6427	0.217	3	116.8495	2.548	4	116.6628	2.182	10	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H){5|C<4>,5|H<1>}	H(N[6]C[6,6]C[6])	114.4700	0.000	1	116.8495	2.548	4	116.6628	2.182	10	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(N[6]C[6,6]C[6])	113.7400	0.000	1	115.6427	2.903	3	116.6628	2.182	10	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	H(N[6]C[6,6]C[6])	117.0270	0.000	1	115.6427	2.903	3	116.6628	2.182	10	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	H(N[6]C[6,6]C[6])	116.1610	0.000	1	115.6427	2.903	3	116.6628	2.182	10	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	H(N[6]C[6,6]C[6])	118.1620	0.000	1	118.1620	0.000	1	116.6628	2.182	10	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)2	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H){3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)2{4|C<4>,6|H<1>}	H(N[6]C[6,6]C[6])	118.4878	1.841	5	118.4878	3.388	5	118.2136	4.644	36	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H){2|C<4>,8|H<1>}	H(N[6]C[6,6]C[6])	118.4875	0.013	2	119.8714	1.845	7	118.2136	4.644	36	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){2|H<1>,4|C<4>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H){2|C<4>,8|H<1>}	H(N[6]C[6,6]C[6])	120.4250	1.194	5	119.8714	1.845	7	118.2136	4.644	36	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|Cu<3>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]H){2|C<4>,8|H<1>}	H(N[6]C[6,6]C[6])	114.9610	0.000	1	114.9610	0.000	1	118.2136	4.644	36	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)2	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)2{2|C<4>,8|H<1>}	H(N[6]C[6,6]C[6])	118.0765	1.672	20	118.0765	2.796	20	118.2136	4.644	36	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Li)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|Li<4>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Li)(N[6]C[6]H){2|C<4>,8|H<1>}	H(N[6]C[6,6]C[6])	110.8790	0.000	1	110.8790	0.000	1	118.2136	4.644	36	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Mo)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|Mo<6>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Mo)(N[6]C[6]H){2|C<4>,8|H<1>}	H(N[6]C[6,6]C[6])	118.8070	0.000	1	118.8070	0.000	1	118.2136	4.644	36	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Zn)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|Zn<4>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Zn)(N[6]C[6]H){2|C<4>,8|H<1>}	H(N[6]C[6,6]C[6])	117.9720	0.000	1	117.9720	0.000	1	118.2136	4.644	36	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:N[6,6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6]H){1|C<3>,1|N<2>,2|C<4>,8|H<1>}	H(N[6]C[6,6]C[6])	116.0090	1.223	3	116.0090	1.495	3	116.0090	1.495	3	117.6589	4.389	53	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:4:3:	3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	H(N[6]C[6,6]C[6])	120.0510	0.000	1	120.0510	0.000	1	119.7650	0.164	2	117.4160	4.933	5	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:4:3:	3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(N[6]C[6,6]C[6])	119.4790	0.000	1	119.4790	0.000	1	119.7650	0.164	2	117.4160	4.933	5	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:4:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H){3|C<4>,7|H<1>}	H(N[6]C[6,6]C[6])	115.4070	0.000	2	115.4070	0.000	2	115.8500	0.589	3	117.4160	4.933	5	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:4:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	H(N[6]C[6,6]C[6])	116.7360	0.000	1	116.7360	0.000	1	115.8500	0.589	3	117.4160	4.933	5	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	4:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6]2C)(N[6]C[6]H)2	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(N[6]C[6]H)2{4|H<1>,6|C<4>}	H(N[6]C[6,6]C[6])	117.2960	1.625	2	117.2960	2.640	2	117.2960	2.640	2	117.2960	2.640	2	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	4:4:3:	3:	C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	H(N[6]C[6,6]C[6])	114.1740	0.000	1	114.1740	0.000	1	114.1740	0.000	1	114.1740	0.000	1	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	4:3:1:	3:3:4:	3:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH)	H(N[6]C[6,6]2)	N[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(N[6]C[6,6]2)	118.0570	0.000	1	118.0570	0.000	1	117.5993	3.086	3	117.5993	3.086	3	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6,6]	H	4:3:1:	3:3:4:	3:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[6]-3:	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH)	H(N[6]C[6,6]2)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(N[6]C[6,6]2)	117.3705	2.420	2	117.3705	5.858	2	117.5993	3.086	3	117.5993	3.086	3	118.3289	4.433	204	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	2:3:1:	4:3:1:	3:	N[6]-2:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](N[6]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]N[5,6]HH)(N[6]N[6]H)(O)	H(N[6]C[6]N[6])	N[6](N[6]C[5,6])(C[6]C[6]O)(H){2|H<1>,2|N<3>}	C[6](C[6]N[5,6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>}	H(N[6]C[6]N[6])	117.2070	0.000	1	117.2070	0.000	1	116.6933	0.321	3	116.6933	0.321	3	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	2:3:1:	4:3:1:	3:	N[6]-2:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](N[6]C[6,6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(N[6]N[6]H)(O)	H(N[6]C[6]N[6])	N[6](N[6]C[6,6])(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]N[6])	116.4365	0.496	2	116.4365	0.246	2	116.6933	0.321	3	116.6933	0.321	3	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:2:1:	3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-2:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](N[6]C[6]H)(C[6]C[6])(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.4660	0.000	1	118.4660	0.000	1	118.4660	0.000	1	119.6383	3.576	3	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:2:1:	3:	C[6]-3:C[6]-2:H-1:	N[6]-3:N[6]-2:C-1:	N[6]-3:	N[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]C[6])(C)	H(N[6]C[6]2)	N[6](C[6]N[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(C){1|C<4>}	H(N[6]C[6]2)	118.6290	0.000	1	118.6290	0.000	1	118.6290	0.000	1	119.6383	3.576	3	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:2:1:	3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:Cl-1:	N[6]-3:	N[6](C[6]N[6]Cl)(N[6]C[6])(H)	C[6](N[6]N[6]H)(N[6]C[6])(Cl)	H(N[6]C[6]N[6])	N[6](C[6]N[6]Cl)(N[6]C[6])(H){1|C<3>,1|C<4>}	C[6](N[6]N[6]H)(N[6]C[6])(Cl){1|C<4>,2|C<3>}	H(N[6]C[6]N[6])	121.8200	0.000	1	121.8200	0.000	1	121.8200	0.000	1	119.6383	3.576	3	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:2:2:	3:	C[6]-3:N[6]-2:H-1:	N[6]-3:S[6]-2:N-2:	N[6]-3:	N[6](C[6]S[6]N)(N[6]C[6])(H)	C[6](N[6]N[6]H)(S[6]C[6])(NC)	H(N[6]C[6]N[6])	N[6](C[6]S[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	C[6](N[6]N[6]H)(S[6]C[6])(NC){1|C<3>,2|H<1>}	H(N[6]C[6]N[6])	112.1510	0.000	1	112.1510	0.000	1	115.6986	7.425	5	115.6986	7.425	5	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:2:2:	3:	C[6]-3:N[6]-2:H-1:	N[6]-3:S[6]-2:N-2:	N[6]-3:	N[6](C[6]S[6]N)(N[6]C[6])(H)	C[6](N[6]N[6]H)(S[6]C[6])(NC[6a])	H(N[6]C[6]N[6])	N[6](C[6]S[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	C[6](N[6]N[6]H)(S[6]C[6])(NC[6a]){1|C<3>,2|H<1>}	H(N[6]C[6]N[6])	115.9250	0.000	1	115.9250	0.000	1	115.6986	7.425	5	115.6986	7.425	5	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:2:2:	3:	C[6]-3:N[6]-2:H-1:	N[6]-3:S[6]-2:N-2:	N[6]-3:	N[6](C[6]S[6]N)(N[6]C[6])(H)	C[6](N[6]N[6]H)(S[6]C[6])(NN)	H(N[6]C[6]N[6])	N[6](C[6]S[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	C[6](N[6]N[6]H)(S[6]C[6])(NN){1|C<3>,2|H<1>}	H(N[6]C[6]N[6])	116.8057	2.587	3	116.8057	6.694	3	115.6986	7.425	5	115.6986	7.425	5	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:2:3:	3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]N[6]N)(N[6]C[6])(H)	C[6](N[6]N[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]N[6])	N[6](C[6]N[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	C[6](N[6]N[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>}	H(N[6]C[6]N[6])	121.1660	0.252	2	121.4043	10.486	23	121.4043	10.486	23	121.4043	10.486	23	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:2:3:	3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]N[6]N)(N[6]C[6])(H)	C[6](N[6]N[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]N[6])	N[6](C[6]N[6]N)(N[6]C[6])(H){2|C<3>}	C[6](N[6]N[6]H)(N[6]C[6])(NHH){1|C<3>,1|N<3>}	H(N[6]C[6]N[6])	121.4270	3.395	21	121.4043	10.486	23	121.4043	10.486	23	121.4043	10.486	23	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:1:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>}	H(N[6]C[6]2)	115.5390	0.000	1	120.8390	56.180	2	120.8390	56.180	2	118.8457	7.565	19	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:1:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>}	H(N[6]C[6]2)	126.1390	0.000	1	120.8390	56.180	2	120.8390	56.180	2	118.8457	7.565	19	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]Br)(N[6]N[6]H)(H)	H(N[6]C[6]N[6])	N[6](C[6]C[6]H)(N[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]N[6]H)(H){1|C<3>,1|O<2>}	H(N[6]C[6]N[6])	122.0430	0.000	1	122.0430	0.000	1	119.9020	4.250	8	118.8457	7.565	19	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(H)	H(N[6]C[6]N[6])	N[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]N[6]H)(H){1|C<3>,1|H<1>}	H(N[6]C[6]N[6])	119.4778	2.187	6	119.5961	4.085	7	119.9020	4.250	8	118.8457	7.565	19	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(H)	H(N[6]C[6]N[6])	N[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]N[6]H)(H){2|C<3>}	H(N[6]C[6]N[6])	120.3060	0.000	1	119.5961	4.085	7	119.9020	4.250	8	118.8457	7.565	19	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]N[6]H)(O)	H(N[6]C[6]N[6])	N[6](C[6]N[6]O)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)(N[6]N[6]H)(O){1|H<1>,2|C<3>}	H(N[6]C[6]N[6])	117.8790	0.000	1	117.8790	0.000	1	116.8080	0.860	3	118.8457	7.565	19	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(H)	C[6](N[6]C[6]N)(N[6]N[6]H)(O)	H(N[6]C[6]N[6])	N[6](C[6]N[6]O)(N[6]C[6])(H){1|N<2>,2|C<4>}	C[6](N[6]C[6]N)(N[6]N[6]H)(O){1|C<3>,2|H<1>}	H(N[6]C[6]N[6])	116.2725	0.016	2	116.2725	0.000	2	116.8080	0.860	3	118.8457	7.565	19	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]N[6]S)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]N[6]H)(S)	H(N[6]C[6]N[6])	N[6](C[6]N[6]S)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)(N[6]N[6]H)(S){1|O<2>,2|C<3>}	H(N[6]C[6]N[6])	119.5180	0.000	1	118.0720	4.182	2	117.7917	2.504	6	118.8457	7.565	19	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]N[6]S)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]N[6]H)(S)	H(N[6]C[6]N[6])	N[6](C[6]N[6]S)(N[6]C[6])(H){1|H<1>,2|C<3>}	C[6](N[6]C[6]H)(N[6]N[6]H)(S){1|C<3>,1|O<1>}	H(N[6]C[6]N[6])	116.6260	0.000	1	118.0720	4.182	2	117.7917	2.504	6	118.8457	7.565	19	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]N[6]S)(N[6]C[6])(H)	C[6](N[6]C[6]N)(N[6]N[6]H)(S)	H(N[6]C[6]N[6])	N[6](C[6]N[6]S)(N[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6]N)(N[6]N[6]H)(S){1|C<3>,1|O<1>}	H(N[6]C[6]N[6])	116.2600	0.160	2	117.6515	2.701	4	117.7917	2.504	6	118.8457	7.565	19	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]N[6]S)(N[6]C[6])(H)	C[6](N[6]C[6]N)(N[6]N[6]H)(S)	H(N[6]C[6]N[6])	N[6](C[6]N[6]S)(N[6]C[6])(H){1|N<3>,2|C<3>}	C[6](N[6]C[6]N)(N[6]N[6]H)(S){1|C<3>,1|O<1>}	H(N[6]C[6]N[6])	119.0430	0.577	2	117.6515	2.701	4	117.7917	2.504	6	118.8457	7.565	19	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6a]-3:N[6]-3:C[6]-2:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(C[6]C[6])	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(C[6]C[6]){1|H<1>,1|N<2>,3|C<3>}	H(N[6]C[6]2)	115.8790	0.000	1	115.8790	0.000	1	115.8790	0.000	1	118.6581	13.967	33	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:2:	3:	C[6]-3:N[6]-2:H-1:	C[5a,6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[5a,6]N)(N[6]C[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN)	H(N[6]C[6]N[6])	N[6](C[6]C[5a,6]N)(N[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN){1|N<3>,2|C<3>}	H(N[6]C[6]N[6])	118.9580	0.000	1	118.7630	0.076	2	118.7630	0.076	2	118.6581	13.967	33	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:2:	3:	C[6]-3:N[6]-2:H-1:	C[5a,6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[5a,6]N)(N[6]C[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN)	H(N[6]C[6]N[6])	N[6](C[6]C[5a,6]N)(N[6]C[6])(H){1|C<3>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN){1|H<1>,1|N<2>,2|C<3>}	H(N[6]C[6]N[6])	118.5680	0.000	1	118.7630	0.076	2	118.7630	0.076	2	118.6581	13.967	33	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:2:	3:	C[6]-3:N[6]-2:H-1:	C[5a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[5a]N[5a]2)(N[6]N[6]H)(N[6]N[6])	H(N[6]C[6]N[6])	N[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|C<3>,1|N<2>,2|N<3>}	C[6](C[5a]N[5a]2)(N[6]N[6]H)(N[6]N[6]){1|N<2>,2|C<3>,2|H<1>}	H(N[6]C[6]N[6])	121.3940	0.000	1	121.3940	0.000	1	121.3940	0.000	1	118.6581	13.967	33	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:2:	3:	C[6]-3:N[6]-2:H-1:	C[6,6a]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6,6a]N)(N[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN)	H(N[6]C[6]N[6])	N[6](C[6]C[6,6a]N)(N[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN){1|H<1>,3|C<3>}	H(N[6]C[6]N[6])	117.9092	1.594	13	117.9092	2.542	13	117.9092	2.542	13	118.6581	13.967	33	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:2:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]S)(N[6]C[6])(H)	C[6](C[6]C[6]C)(N[6]N[6]H)(SZn)	H(N[6]C[6]N[6])	N[6](C[6]C[6]S)(N[6]C[6])(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]N[6]H)(SZn){1|C<3>,1|H<1>}	H(N[6]C[6]N[6])	123.5618	5.950	4	123.5618	35.402	4	121.1315	35.416	6	118.6581	13.967	33	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:2:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]S)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(SCu)	H(N[6]C[6]N[6])	N[6](C[6]C[6]S)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]N[6]H)(SCu){1|C<3>,1|H<1>}	H(N[6]C[6]N[6])	116.2710	0.025	2	116.2710	0.001	2	121.1315	35.416	6	118.6581	13.967	33	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:2:	3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]C[6])	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]N[6])	121.7650	0.000	1	121.7650	0.000	1	116.9589	17.475	8	118.6581	13.967	33	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:2:	3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6])	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6]){2|H<1>,4|C<3>}	H(N[6]C[6]N[6])	121.2820	0.187	2	121.2820	0.035	2	116.9589	17.475	8	118.6581	13.967	33	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:2:	3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]C[6])	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|C<4>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]N[6])	118.0680	0.000	1	118.0680	0.000	1	116.9589	17.475	8	118.6581	13.967	33	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:2:	3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6])	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6]){2|H<1>,3|C<3>}	H(N[6]C[6]N[6])	113.3185	1.589	4	113.3185	2.525	4	116.9589	17.475	8	118.6581	13.967	33	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:2:	3:	C[6]-3:N[6]-2:H-1:	N[5a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]N[5a]N[6])(N[6]C[6])(H)	C[6](N[5a]C[5a]N[5a])(N[6]N[6]H)(N[6]N[6])	H(N[6]C[6]N[6])	N[6](C[6]N[5a]N[6])(N[6]C[6])(H){1|C<3>,1|N<2>,2|N<3>}	C[6](N[5a]C[5a]N[5a])(N[6]N[6]H)(N[6]N[6]){1|C<4>,1|H<1>,3|C<3>}	H(N[6]C[6]N[6])	122.8200	0.040	2	122.8200	0.002	2	122.8200	0.002	2	118.6581	13.967	33	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]N[6])2(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6])(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]H){2|Cu<4>,1|H<1>,1|N<3>,4|C<3>}	H(N[6]C[6]2)	120.8770	0.000	1	120.8770	0.000	1	120.8770	0.000	1	120.5988	23.626	10	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6,6a]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6,6a]N)(N[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN)	H(N[6]C[6]N[6])	N[6](C[6]C[6,6a]N)(N[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN){1|H<1>,3|C<3>}	H(N[6]C[6]N[6])	120.9367	1.040	3	119.9878	36.396	6	119.9878	36.396	6	120.5988	23.626	10	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6,6a]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6,6a]N)(N[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN)	H(N[6]C[6]N[6])	N[6](C[6]C[6,6a]N)(N[6]C[6])(H){1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN){1|H<1>,3|C<3>}	H(N[6]C[6]N[6])	119.0390	9.339	3	119.9878	36.396	6	119.9878	36.396	6	120.5988	23.626	10	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(N[6]C[6])(H)	C[6](C[6]C[6]C)(N[6]N[6]H)(NCC)	H(N[6]C[6]N[6])	N[6](C[6]C[6]N)(N[6]C[6])(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]N[6]H)(NCC){1|C<3>,1|H<1>}	H(N[6]C[6]N[6])	125.2030	0.000	1	125.2030	0.000	1	121.7025	24.507	2	120.5988	23.626	10	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(NHH)	H(N[6]C[6]N[6])	N[6](C[6]C[6]N)(N[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]N[6]H)(NHH){1|C<3>,1|H<1>}	H(N[6]C[6]N[6])	118.2020	0.000	1	118.2020	0.000	1	121.7025	24.507	2	120.5988	23.626	10	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6a]C[6])(N[6]C[6])(H){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]H){3|C<3>,4|H<1>}	H(N[6]C[6]N[6])	121.7790	0.000	1	121.7790	0.000	1	121.7790	0.000	1	120.5988	23.626	10	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:4:	3:	C[6]-3:N[6]-2:H-1:	C[5a,6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[5a,6]C)(N[6]C[6])(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]N[6]H)(CH3)	H(N[6]C[6]N[6])	N[6](C[6]C[5a,6]C)(N[6]C[6])(H){1|C<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	H(N[6]C[6]N[6])	120.7140	0.000	1	120.7140	0.000	1	120.7140	0.000	1	120.7140	0.000	1	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	4:3:1:	3:	C[6]-3:N[6]-2:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6])(H)	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	H(N[6]C[6]N[6])	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]N[6])	116.8040	0.437	2	117.9894	3.464	5	117.6105	2.288	10	117.6105	2.288	10	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	4:3:1:	3:	C[6]-3:N[6]-2:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6])(H)	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	H(N[6]C[6]N[6])	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|C<3>,2|H<1>}	H(N[6]C[6]N[6])	118.7797	2.119	3	117.9894	3.464	5	117.6105	2.288	10	117.6105	2.288	10	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	4:3:1:	3:	C[6]-3:N[6]-2:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(O)	H(N[6]C[6]N[6])	N[6](C[6]C[6]O)(N[6]C[6])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(O){1|C<4>,3|C<3>}	H(N[6]C[6]N[6])	116.5690	0.057	3	116.5690	0.003	3	117.6105	2.288	10	117.6105	2.288	10	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	4:3:1:	3:	C[6]-3:N[6]-2:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6])(H)	C[6](C[6]N[6]CH)(N[6]N[6]H)(O)	H(N[6]C[6]N[6])	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]N[6]H)(O){2|C<3>}	H(N[6]C[6]N[6])	119.2270	0.000	1	119.2270	0.000	1	117.6105	2.288	10	117.6105	2.288	10	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	4:3:1:	3:	C[6]-3:N[6]-2:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6])(H)	C[6](C[6]O[6]HH)(N[6]N[6]H)(O)	H(N[6]C[6]N[6])	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]N[6]H)(O){1|C<3>}	H(N[6]C[6]N[6])	117.2240	0.000	1	117.2240	0.000	1	117.6105	2.288	10	117.6105	2.288	10	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	4:3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-4:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6]HH)(N[6]N[6]H)(CCO)	H(N[6]C[6]N[6])	N[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(CCO){1|C<3>,2|H<1>}	H(N[6]C[6]N[6])	119.7260	0.000	1	119.7260	0.000	1	119.7260	0.000	1	119.7260	0.000	1	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	118.0009	0.596	8	118.0072	0.232	12	117.6624	5.773	87	117.6624	5.773	87	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	H(N[6]C[6]2)	118.0198	0.153	4	118.0072	0.232	12	117.6624	5.773	87	117.6624	5.773	87	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H)	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>}	H(N[6]C[6]2)	117.6880	0.159	4	117.6880	0.025	4	117.6624	5.773	87	117.6624	5.773	87	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H)	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<2>}	H(N[6]C[6]2)	120.4935	3.259	2	120.4935	10.621	2	117.6624	5.773	87	117.6624	5.773	87	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<1>,1|N<3>}	H(N[6]C[6]2)	109.7090	0.000	1	117.6311	6.685	62	117.6624	5.773	87	117.6624	5.773	87	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	121.2155	3.734	2	117.6311	6.685	62	117.6624	5.773	87	117.6624	5.773	87	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	H(N[6]C[6]2)	117.7345	1.603	46	117.6311	6.685	62	117.6624	5.773	87	117.6624	5.773	87	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	117.8980	0.000	1	117.6311	6.685	62	117.6624	5.773	87	117.6624	5.773	87	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	H(N[6]C[6]2)	117.2754	4.131	12	117.6311	6.685	62	117.6624	5.773	87	117.6624	5.773	87	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	117.6945	0.354	2	116.5249	8.146	7	117.6624	5.773	87	117.6624	5.773	87	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<1>}	H(N[6]C[6]2)	116.1670	4.917	2	116.5249	8.146	7	117.6624	5.773	87	117.6624	5.773	87	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<3>}	H(N[6]C[6]2)	118.4690	0.000	1	116.5249	8.146	7	117.6624	5.773	87	117.6624	5.773	87	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	117.1320	0.000	1	116.5249	8.146	7	117.6624	5.773	87	117.6624	5.773	87	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){2|C<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	112.3500	0.000	1	116.5249	8.146	7	117.6624	5.773	87	117.6624	5.773	87	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H)	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|O<2>}	H(N[6]C[6]2)	116.5980	0.000	1	116.5980	0.000	1	118.5968	4.792	14	118.7176	4.214	17	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5,6]S)(C[6]N[6]N)(H)	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[5,6]S)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|S<2>}	H(N[6]C[6]2)	118.9743	1.085	6	118.9743	1.177	6	118.5968	4.792	14	118.7176	4.214	17	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(NCH)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(NCH){1|C<3>,2|N<3>}	H(N[6]C[6]2)	117.9940	0.000	1	117.9940	0.000	1	118.5968	4.792	14	118.7176	4.214	17	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H){1|C<3>,1|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|C<3>,2|N<3>}	H(N[6]C[6]2)	116.1050	0.272	2	116.1050	0.074	2	118.5968	4.792	14	118.7176	4.214	17	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H){1|C<3>,1|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|O<2>}	H(N[6]C[6]2)	117.5960	0.144	2	117.5960	0.021	2	118.5968	4.792	14	118.7176	4.214	17	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5a,6]S)(C[6]N[6]N)(H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]S)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|S<2>}	H(N[6]C[6]2)	120.0350	0.000	1	120.0350	0.000	1	118.5968	4.792	14	118.7176	4.214	17	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6,6a]N)(C[6]N[6]N)(H)	C[6](N[6]C[6,6a])(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]N)(C[6]N[6]N)(H){2|C<3>}	C[6](N[6]C[6,6a])(N[6]C[6]H)(NHH){1|C<3>,2|N<3>}	H(N[6]C[6]2)	124.4800	0.000	1	124.4800	0.000	1	118.5968	4.792	14	118.7176	4.214	17	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C[6]-3:H-1:	S-2:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](SB[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](SB[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	120.9050	0.000	1	120.9050	0.000	1	119.2817	1.986	3	118.7176	4.214	17	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C[6]-3:H-1:	S-2:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](SC[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](SC[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.4700	0.137	2	118.4700	0.019	2	119.2817	1.986	3	118.7176	4.214	17	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	2:3:4:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6,6a]S)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a])(N[6]C[6]H)(CCHH)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]S)(C[6]N[6]C)(H){2|C<3>}	C[6](N[6]C[6,6a])(N[6]C[6]H)(CCHH){1|S<1>,2|C<3>}	H(N[6]C[6]2)	117.7860	0.000	1	117.7860	0.000	1	117.7860	0.000	1	117.7860	0.000	1	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:H-1:	N[6]-3:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)(H)	C[6](N[6]C[5,6]H)(N[6]C[6])(H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)(H){1|Pt<6>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6]H)(N[6]C[6])(H){1|C<3>,2|N<3>}	H(N[6]C[5,6]C[6])	121.7370	0.000	1	121.7370	0.000	1	121.7370	0.000	1	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-2:H-1:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6])(H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){4|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[5a,6]C[6])	114.5360	0.000	1	114.5360	0.000	1	114.5360	0.000	1	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:H-1:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	C[6](N[6]C[5a,6]H)(N[6]C[6])(H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){1|N<3>,2|C<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>}	H(N[6]C[5a,6]C[6])	121.4368	2.364	16	121.4145	5.601	18	121.4145	5.601	18	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:H-1:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	C[6](N[6]C[5a,6]H)(N[6]C[6])(H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){1|N<3>,2|C<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(H){1|C<3>,2|N<2>}	H(N[6]C[5a,6]C[6])	121.2365	3.362	2	121.4145	5.601	18	121.4145	5.601	18	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6,6a])(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]H)(H){3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6,6a])(H){1|C<3>,2|N<2>}	H(N[6]C[6,6a]C[6])	120.4850	0.000	1	120.4850	0.000	1	119.5874	5.810	18	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6])(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6])(H){1|N<2>,2|C<3>}	H(N[6]C[6,6a]C[6])	121.7220	1.314	2	120.3296	5.233	11	119.5874	5.810	18	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6])(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6])(H){1|N<3>,2|C<3>}	H(N[6]C[6,6a]C[6])	120.0202	2.394	9	120.3296	5.233	11	119.5874	5.810	18	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6])(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]S[6])(H){2|C<3>,2|O<1>}	H(N[6]C[6,6a]C[6])	118.0770	2.275	6	118.0770	5.178	6	119.5874	5.810	18	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6](N[6]C[6,6a]H)(O[6]C[4,6])(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(O[6]C[4,6])(O){2|C<3>,2|C<4>}	H(N[6]C[6,6a]C[6])	115.1840	0.000	1	115.1840	0.000	1	116.7359	2.814	7	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6](N[6]C[6,6a]H)(O[6]C[6,6])(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(O[6]C[6,6])(O){2|C<3>,2|C<4>}	H(N[6]C[6,6a]C[6])	115.8285	3.037	2	115.8285	9.224	2	116.7359	2.814	7	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6](N[6]C[6,6a]H)(O[6]C[6])(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(O[6]C[6])(O){1|C<2>,1|C<4>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.7180	0.259	2	117.5775	0.258	4	116.7359	2.814	7	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6](N[6]C[6,6a]H)(O[6]C[6])(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(O[6]C[6])(O){1|C<4>,3|C<3>}	H(N[6]C[6,6a]C[6])	116.8770	0.000	1	117.5775	0.258	4	116.7359	2.814	7	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6](N[6]C[6,6a]H)(O[6]C[6])(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(O[6]C[6])(O){2|C<3>,2|C<4>}	H(N[6]C[6,6a]C[6])	117.9970	0.000	1	117.5775	0.258	4	116.7359	2.814	7	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:S[6]-2:S-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]S)(H)	C[6](N[6]C[6,6a]H)(S[6]C[6])(S)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]S)(H){1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(S[6]C[6])(S){1|S<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	116.0690	0.000	1	116.0690	0.000	1	116.0690	0.000	1	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-2:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](N[6]C[6]H)(C[6]C[6])(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	119.1190	1.877	3	119.8317	4.380	4	119.8317	4.380	4	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-2:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](N[6]C[6]H)(C[6]C[6])(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	C[6](N[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	121.9700	0.000	1	119.8317	4.380	4	119.8317	4.380	4	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]H)(N[6]C[6])(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.8957	0.186	3	119.8957	0.034	3	119.8957	0.034	3	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|O<1>,2|C<3>}	H(N[6]C[6]2)	118.2280	0.000	1	118.2280	0.000	1	116.9700	4.799	51	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	116.1620	0.000	1	116.7878	5.176	24	116.9700	4.799	51	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|Cl<1>,1|C<3>,1|O<1>}	H(N[6]C[6]2)	117.1683	0.362	4	116.7878	5.176	24	116.9700	4.799	51	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|F<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	115.5310	0.000	1	116.7878	5.176	24	116.9700	4.799	51	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|Cl<1>,1|C<3>,1|O<1>}	H(N[6]C[6]2)	117.9100	1.454	2	116.7878	5.176	24	116.9700	4.799	51	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|O<1>,2|C<3>}	H(N[6]C[6]2)	112.5540	0.000	1	116.7878	5.176	24	116.9700	4.799	51	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	124.3230	0.000	1	116.7878	5.176	24	116.9700	4.799	51	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,2|O<1>}	H(N[6]C[6]2)	115.1645	0.409	2	116.7878	5.176	24	116.9700	4.799	51	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	115.3877	1.425	3	116.7878	5.176	24	116.9700	4.799	51	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	117.6850	0.000	1	116.7878	5.176	24	116.9700	4.799	51	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,2|O<1>}	H(N[6]C[6]2)	117.5410	1.554	4	116.7878	5.176	24	116.9700	4.799	51	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|C<4>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	117.1105	1.119	2	116.7878	5.176	24	116.9700	4.799	51	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|C<4>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	117.5080	0.000	1	116.7878	5.176	24	116.9700	4.799	51	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	113.7730	0.000	1	116.7878	5.176	24	116.9700	4.799	51	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:	N[6](C[6]N[6]O)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]N[6]O)2(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	116.9056	2.487	19	117.0898	4.726	26	116.9700	4.799	51	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:	N[6](C[6]N[6]O)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]N[6]O)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<2>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	117.6625	0.046	4	117.0898	4.726	26	116.9700	4.799	51	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:	N[6](C[6]N[6]O)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]N[6]O)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<2>,2|O<1>}	H(N[6]C[6]2)	117.9535	1.757	2	117.0898	4.726	26	116.9700	4.799	51	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:	N[6](C[6]N[6]O)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]N[6]O)2(H){1|Zn<4>,1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	116.5700	0.000	1	117.0898	4.726	26	116.9700	4.799	51	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6])(S)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.8230	0.000	1	117.4525	3.757	2	117.9701	2.933	29	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6])(S)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<3>,2|C<4>}	H(N[6]C[6]2)	116.0820	0.000	1	117.4525	3.757	2	117.9701	2.933	29	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6])(S)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<3>,2|H<1>}	H(N[6]C[6]2)	115.5583	4.123	3	115.5583	17.000	3	117.9701	2.933	29	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-1:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6])(S)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	117.8210	0.000	1	118.6824	0.290	5	117.9701	2.933	29	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-1:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6])(S)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<3>,2|N<3>}	H(N[6]C[6]2)	118.8978	0.279	4	118.6824	0.290	5	117.9701	2.933	29	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-1:	N[6]-3:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(S)	H(N[6]C[6]2)	N[6](C[6]N[6]S)2(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|N<3>,2|S<1>}	H(N[6]C[6]2)	118.1722	1.149	17	118.2179	1.195	19	117.9701	2.933	29	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-1:	N[6]-3:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(S)	H(N[6]C[6]2)	N[6](C[6]N[6]S)2(H){1|Zn<5>,1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|N<3>,1|S<1>,1|S<2>}	H(N[6]C[6]2)	118.4730	0.000	1	118.2179	1.195	19	117.9701	2.933	29	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-1:	N[6]-3:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(S)	H(N[6]C[6]2)	N[6](C[6]N[6]S)2(H){1|Zn<6>,1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|N<3>,1|S<1>,1|S<2>}	H(N[6]C[6]2)	118.7390	0.000	1	118.2179	1.195	19	117.9701	2.933	29	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6]O[6]O)(N[6]C[6]C)(H)	C[6](N[6]N[6]H)(O[6]C[6])(O)	H(N[6]C[6]N[6])	N[6](C[6]O[6]O)(N[6]C[6]C)(H){1|H<1>,2|C<4>}	C[6](N[6]N[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[6]N[6])	117.1010	0.765	2	116.7028	0.499	4	116.7028	0.499	4	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6]O[6]O)(N[6]C[6]C)(H)	C[6](N[6]N[6]H)(O[6]C[6])(O)	H(N[6]C[6]N[6])	N[6](C[6]O[6]O)(N[6]C[6]C)(H){1|H<1>,2|C<4>}	C[6](N[6]N[6]H)(O[6]C[6])(O){2|C<4>,2|H<1>}	H(N[6]C[6]N[6])	116.3045	0.525	2	116.7028	0.499	4	116.7028	0.499	4	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:S-1:	N[6]-3:	N[6](C[6]O[6]S)(N[6]C[6]C)(H)	C[6](N[6]N[6]H)(O[6]C[6])(S)	H(N[6]C[6]N[6])	N[6](C[6]O[6]S)(N[6]C[6]C)(H){1|H<1>,2|C<4>}	C[6](N[6]N[6]H)(O[6]C[6])(S){1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[6]N[6])	115.2600	2.819	2	115.2600	7.944	2	115.2600	7.944	2	118.2048	6.855	139	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N)(H)	C[6](N[6]C[6,6]H)(N[6]C[6,6a])(NP)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N)(H){3|C<3>}	C[6](N[6]C[6,6]H)(N[6]C[6,6a])(NP){1|N<3>,2|N<2>}	H(N[6]C[6,6]C[6])	118.7570	0.000	1	118.7570	0.000	1	118.7570	0.000	1	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6])(NC)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]S[6])(NC){2|C<3>,2|O<1>}	H(N[6]C[6,6a]C[6])	115.3450	1.082	3	115.3450	1.172	3	115.3450	1.172	3	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6])(OC)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]S[6])(OC){2|C<3>,2|O<1>}	H(N[6]C[6,6a]C[6])	118.3505	0.231	2	118.3505	0.053	2	118.3505	0.053	2	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6])(SC)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]S[6])(SC){2|C<3>,2|O<1>}	H(N[6]C[6,6a]C[6])	119.4500	0.000	1	119.4500	0.000	1	119.4500	0.000	1	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:S[6]-2:N-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]S[6]N)(H)	C[6](N[6]C[6,6a]H)(S[6]C[6])(NC)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]S[6]N)(H){3|C<3>}	C[6](N[6]C[6,6a]H)(S[6]C[6])(NC){1|N<2>,2|C<3>}	H(N[6]C[6,6a]C[6])	115.5630	0.000	1	115.5630	0.000	1	115.5630	0.000	1	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NC){1|C<3>,2|C<4>}	H(N[6]C[6]2)	115.9780	0.000	1	115.9780	0.000	1	117.5875	9.875	38	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<3>,2|C<4>}	H(N[6]C[6]2)	116.8170	0.000	1	116.8170	0.000	1	117.5875	9.875	38	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NS)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NS){1|C<3>,2|C<4>}	H(N[6]C[6]2)	117.7304	1.473	13	117.7304	2.169	13	117.5875	9.875	38	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	123.3235	4.017	2	123.3235	16.137	2	117.5875	9.875	38	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NS)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NS){1|C<3>,2|H<1>}	H(N[6]C[6]2)	115.1572	3.594	10	115.1572	12.917	10	117.5875	9.875	38	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<3>,2|N<3>}	H(N[6]C[6]2)	116.3820	0.000	2	116.3820	0.000	2	117.5875	9.875	38	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:	N[6](C[6]N[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	H(N[6]C[6]2)	N[6](C[6]N[6]C)(C[6]N[6]N)(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<4>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	120.2980	0.000	1	118.8055	4.455	2	117.5875	9.875	38	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:	N[6](C[6]N[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	H(N[6]C[6]2)	N[6](C[6]N[6]C)(C[6]N[6]N)(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<4>,2|N<2>}	H(N[6]C[6]2)	117.3130	0.000	1	118.8055	4.455	2	117.5875	9.875	38	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC)	H(N[6]C[6]2)	N[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NC){1|N<3>,2|N<2>}	H(N[6]C[6]2)	119.4545	4.502	2	119.5838	6.903	4	117.5875	9.875	38	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC)	H(N[6]C[6]2)	N[6](C[6]N[6]N)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NC){3|N<2>}	H(N[6]C[6]2)	119.7130	0.610	2	119.5838	6.903	4	117.5875	9.875	38	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	H(N[6]C[6]2)	N[6](C[6]N[6]N)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|N<2>,2|N<3>}	H(N[6]C[6]2)	118.2540	0.000	1	119.3690	11.073	3	117.5875	9.875	38	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	H(N[6]C[6]2)	N[6](C[6]N[6]N)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){3|N<2>}	H(N[6]C[6]2)	119.9265	4.504	2	119.3690	11.073	3	117.5875	9.875	38	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(OCa)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(OCa){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	119.3390	0.000	1	119.3390	0.000	1	119.6465	0.570	4	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(OCo)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(OCo){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	119.2490	0.000	1	119.2490	0.000	1	119.6465	0.570	4	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(OMn)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(OMn){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	119.2220	0.000	1	119.2220	0.000	1	119.6465	0.570	4	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-2:	N[6]-3:	N[6](C[6]C[6]Ir)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(OC)	H(N[6]C[6]2)	N[6](C[6]C[6]Ir)(C[6]N[6]O)(H){2|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(OC){1|Ir<6>,1|C<3>,1|O<2>}	H(N[6]C[6]2)	120.7760	0.000	1	120.7760	0.000	1	119.6465	0.570	4	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-2:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6])(SC)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>}	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	120.2020	0.000	1	120.1200	0.013	2	118.4910	4.469	21	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-2:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6])(SC)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,1|C<4>,1|O<2>}	H(N[6]C[6]2)	120.0380	0.000	1	120.1200	0.013	2	118.4910	4.469	21	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-2:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6])(SCu)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(SCu){1|C<3>,2|C<4>}	H(N[6]C[6]2)	118.4390	1.619	4	118.4390	2.621	4	118.4910	4.469	21	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-2:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6])(SIr)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(SIr){1|C<3>,2|C<4>}	H(N[6]C[6]2)	116.1760	0.000	1	116.1760	0.000	1	118.4910	4.469	21	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6])(SCu)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(SCu){1|C<3>,2|H<1>}	H(N[6]C[6]2)	115.5587	0.234	3	115.5587	0.055	3	118.4910	4.469	21	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6])(SC)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,2|O<2>}	H(N[6]C[6]2)	121.1210	0.000	1	119.8474	3.045	5	118.4910	4.469	21	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6])(SC)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<4>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	119.5290	1.840	4	119.8474	3.045	5	118.4910	4.469	21	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]N[6])(SC)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]H)(N[6]N[6])(SC){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	119.5740	0.000	1	119.5740	0.000	1	118.4910	4.469	21	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-2:	N[6]-3:	N[6](C[6]C[6]S)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6])(SCu)	H(N[6]C[6]2)	N[6](C[6]C[6]S)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(SCu){1|C<3>,1|H<1>,1|S<2>}	H(N[6]C[6]2)	116.1430	1.348	2	116.1430	1.816	2	118.4910	4.469	21	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-2:	N[6]-3:	N[6](C[6]N[6]N)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6])(SC)	H(N[6]C[6]2)	N[6](C[6]N[6]N)(C[6]N[6]S)(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|N<2>,2|N<3>}	H(N[6]C[6]2)	120.6020	0.403	2	120.6020	0.162	2	118.4910	4.469	21	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-2:	N[6]-3:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(SC)	H(N[6]C[6]2)	N[6](C[6]N[6]S)2(H){1|C<4>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	119.1620	0.000	1	119.1620	0.000	1	118.4910	4.469	21	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:S[6]-2:N-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]S[6]N)(H)	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a])	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]){1|C<4>,1|O<1>,2|H<1>}	H(N[6]C[6]2)	115.8560	0.000	1	115.8560	0.000	1	115.8560	0.000	1	117.8831	7.251	72	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]N[6]N)(H)	C[6](N[6]C[5,6]H)(N[6]C[6])(NC[6a]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5])(C[6]N[6]N)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](N[6]C[5,6]H)(N[6]C[6])(NC[6a]H){1|C<3>,1|C<4>,1|N<3>}	H(N[6]C[5,6]C[6])	120.5570	0.000	1	120.5570	0.000	1	118.2917	3.876	3	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N)(H)	C[6](N[6]C[5,6]H)(N[6]C[6])(NHH)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N)(H){1|Co<6>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6]H)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	H(N[6]C[5,6]C[6])	117.1590	0.235	2	117.1590	0.055	2	118.2917	3.876	3	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H)	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H){1|C<3>,1|N<2>,1|O<2>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(N[6]C[5a,6]C[6])	120.7130	0.000	1	120.8460	0.035	2	120.7230	0.063	3	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H)	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H){1|N<3>,2|C<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(N[6]C[5a,6]C[6])	120.9790	0.000	1	120.8460	0.035	2	120.7230	0.063	3	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]N)(H)	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]N)(H){1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	H(N[6]C[5a,6]C[6])	120.4770	0.000	1	120.4770	0.000	1	120.7230	0.063	3	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHN)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHN){1|N<3>,2|C<3>}	H(N[6]C[6,6a]C[6])	120.0700	0.000	1	120.0700	0.000	1	117.6355	5.617	10	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6])(NCH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]S[6])(NCH){2|C<3>,2|O<1>}	H(N[6]C[6,6a]C[6])	121.0470	0.000	1	121.0470	0.000	1	117.6355	5.617	10	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]N)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]N)(H){1|N<2>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(N[6]C[6,6a]C[6])	116.9048	2.025	8	116.9048	4.103	8	117.6355	5.617	10	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:O[6]-2:N-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(H)	C[6](N[6]C[6,6a]H)(O[6]B[6])(NC[6a]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(O[6]B[6])(NC[6a]H){2|C<3>,2|F<1>}	H(N[6]C[6,6a]C[6])	116.8970	0.000	1	116.8970	0.000	1	116.8970	0.000	1	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:C-3:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)(N[6]C[6])(CHH)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>}	C[6](N[6]C[6]H)(N[6]C[6])(CHH){1|C<3>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	117.8950	0.000	1	117.8950	0.000	1	117.8950	0.000	1	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<3>,2|C<4>}	H(N[6]C[6]2)	118.9405	0.756	2	118.9405	0.571	2	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	119.3377	0.870	3	119.0922	2.295	64	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|O<2>}	H(N[6]C[6]2)	118.6837	3.725	6	119.0922	2.295	64	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|C<4>}	H(N[6]C[6]2)	119.1498	1.596	24	119.0922	2.295	64	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){2|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|N<3>}	H(N[6]C[6]2)	119.1029	0.679	31	119.0922	2.295	64	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHS)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHS){1|C<3>,2|C<4>}	H(N[6]C[6]2)	120.3983	0.921	7	120.3983	0.848	7	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.3990	0.081	2	119.3990	0.006	2	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	120.5890	0.000	1	120.5890	0.000	1	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	120.3943	2.167	27	119.8594	4.334	67	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	119.0324	0.935	5	119.8594	4.334	67	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	120.1710	2.025	7	119.8594	4.334	67	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.3344	2.092	27	119.8594	4.334	67	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cl<1>,1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	121.5420	0.000	1	119.8594	4.334	67	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	H(N[6]C[6]2)	117.8945	0.420	4	118.9296	1.711	9	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|Cl<1>,1|C<3>,1|N<1>}	H(N[6]C[6]2)	121.7910	0.000	1	118.9296	1.711	9	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|Cl<1>,1|C<3>,1|N<3>}	H(N[6]C[6]2)	119.2493	0.303	4	118.9296	1.711	9	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]N[6])(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N[6])(C[6]N[6]N)(H){1|C<3>,1|N<3>,2|C<4>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	H(N[6]C[6]2)	119.5530	0.000	1	119.5530	0.000	1	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,2|C<4>}	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|C<4>,2|O<1>}	H(N[6]C[6]2)	115.2967	2.384	3	116.0730	6.201	4	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){2|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|C<3>,2|O<1>}	H(N[6]C[6]2)	118.4020	0.000	1	116.0730	6.201	4	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|O<2>}	H(N[6]C[6]2)	119.9662	0.402	21	119.9662	0.161	21	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]N[6]N)(H){1|H<1>,3|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){3|C<3>}	H(N[6]C[6]2)	119.5310	0.000	1	119.5310	0.000	1	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6])(C[6]N[6]N)(H){3|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	119.8688	1.616	4	119.8688	2.612	4	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]N[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]N[6]C)(C[6]N[6]N)(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<4>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	119.8297	2.360	10	119.8297	5.567	10	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]N[6]N)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	H(N[6]C[6]2)	N[6](C[6]N[6]N)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|O<1>,2|N<3>}	H(N[6]C[6]2)	118.9422	0.255	6	118.9422	0.065	6	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]N[6]N)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	H(N[6]C[6]2)	N[6](C[6]N[6]N)(C[6]N[6]S)(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|N<2>,1|N<3>,1|S<2>}	H(N[6]C[6]2)	120.6375	0.363	2	120.6375	0.132	2	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	H(N[6]C[6]2)	N[6](C[6]N[6]N)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|N<2>,2|N<3>}	H(N[6]C[6]2)	120.6894	0.714	5	120.6894	0.510	5	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	H(N[6]C[6]2)	N[6](C[6]N[6]N)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|N<2>,2|N<3>}	H(N[6]C[6]2)	119.8120	3.473	2	119.8120	12.064	2	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<2>,2|N<3>}	H(N[6]C[6]2)	119.7170	1.000	2	120.2384	4.075	179	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){3|N<3>}	H(N[6]C[6]2)	119.7203	1.084	12	120.2384	4.075	179	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]N[6]N)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	120.2640	0.014	2	120.2384	4.075	179	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]N[6]N)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<2>,2|N<3>}	H(N[6]C[6]2)	120.2863	2.106	158	120.2384	4.075	179	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]N[6]N)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<3>,2|N<2>}	H(N[6]C[6]2)	120.1674	1.650	5	120.2384	4.075	179	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHN)	H(N[6]C[6]2)	N[6](C[6]N[6]N)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHN){1|N<2>,2|N<3>}	H(N[6]C[6]2)	121.3446	0.808	5	121.3446	0.652	5	119.8743	3.648	392	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:S[6]-2:C-3:	N[6]-3:	N[6](C[6]C[6]O)(C[6]S[6]C)(H)	C[6](N[6]C[6]H)(S[6]C[6])(CCH)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]S[6]C)(H){1|C<4>,2|H<1>}	C[6](N[6]C[6]H)(S[6]C[6])(CCH){1|C<4>,1|O<1>,2|H<1>}	H(N[6]C[6]2)	120.6070	1.527	2	120.6070	2.333	2	120.6070	2.333	2	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:C-3:	N[6]-3:	N[6](C[6]N[6]C)(N[6]C[6]H)(H)	C[6](N[6]N[6]H)(N[6]C[6])(COO)	H(N[6]C[6]N[6])	N[6](C[6]N[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6](N[6]N[6]H)(N[6]C[6])(COO){1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]N[6])	121.4995	0.069	2	121.4995	0.005	2	121.4995	0.005	2	119.8144	3.789	414	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6])(CHHS)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]S[6])(CHHS){2|C<3>,2|O<1>}	H(N[6]C[6,6a]C[6])	110.0666	21.502	2	110.0666	462.351	2	110.0666	462.351	2	119.3828	28.330	29	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:4:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-2:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]H)(C[6]C[6])(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	H(N[6]C[6]2)	116.5250	0.000	1	116.5250	0.000	1	116.5250	0.000	1	119.3828	28.330	29	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:4:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cl<1>,1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	H(N[6]C[6]2)	119.9385	1.773	2	119.9385	3.143	2	120.2094	5.255	26	119.3828	28.330	29	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:4:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:C-4:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	119.9108	2.396	9	119.9108	5.741	9	120.2094	5.255	26	119.3828	28.330	29	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:4:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:C-4:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,2|N<3>}	H(N[6]C[6]2)	120.9430	0.000	1	119.0623	3.328	3	120.2094	5.255	26	119.3828	28.330	29	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:4:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:C-4:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cl<1>,1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	H(N[6]C[6]2)	118.1220	1.162	2	119.0623	3.328	3	120.2094	5.255	26	119.3828	28.330	29	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:4:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:C-4:	N[6]-3:	N[6](C[6]N[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	H(N[6]C[6]2)	N[6](C[6]N[6]C)(C[6]N[6]N)(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|N<2>,2|N<3>}	H(N[6]C[6]2)	120.6018	2.645	10	120.7652	6.095	12	120.2094	5.255	26	119.3828	28.330	29	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:4:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:C-4:	N[6]-3:	N[6](C[6]N[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	H(N[6]C[6]2)	N[6](C[6]N[6]C)(C[6]N[6]N)(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|N<3>,2|N<2>}	H(N[6]C[6]2)	120.4670	0.000	1	120.7652	6.095	12	120.2094	5.255	26	119.3828	28.330	29	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:4:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:C-4:	N[6]-3:	N[6](C[6]N[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	H(N[6]C[6]2)	N[6](C[6]N[6]C)(C[6]N[6]N)(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){3|N<2>}	H(N[6]C[6]2)	122.6980	0.000	1	120.7652	6.095	12	120.2094	5.255	26	119.3828	28.330	29	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[5,6]C[6])	121.6997	0.253	3	120.7318	3.790	4	120.1158	3.408	6	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[5,6]C[6])	117.8280	0.000	1	120.7318	3.790	4	120.1158	3.408	6	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[5,6]C[6])	118.8840	1.058	2	118.8840	1.119	2	120.1158	3.408	6	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[6]-3:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]O)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<2>}	H(N[6]C[5,6]C[6])	136.3710	0.000	1	136.3710	0.000	1	136.3710	0.000	1	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)(H)	C[6](N[6]C[5,6]H)(N[6]C[6]H)(H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	H(N[6]C[5,6]C[6])	123.4870	0.000	1	123.4870	0.000	1	123.4870	0.000	1	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[5a,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]H)(S)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]S)(H){1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]H)(S){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(N[6]C[5a,6]C[6])	118.1150	0.000	1	118.1150	0.000	1	118.1150	0.000	1	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[5a,6]C[6])	119.6630	0.000	1	119.6980	2.471	7	119.8097	2.218	8	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[5a,6]C[6])	118.7492	0.374	4	119.6980	2.471	7	119.8097	2.218	8	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>}	H(N[6]C[5a,6]C[6])	121.6130	1.863	2	119.6980	2.471	7	119.8097	2.218	8	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|N<2>,2|N<3>}	H(N[6]C[5a,6]C[6])	120.5920	0.000	1	120.5920	0.000	1	119.8097	2.218	8	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<1>}	H(N[6]C[5a,6]C[6])	118.3740	0.000	1	118.3740	0.000	1	118.3740	0.000	1	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(O)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>}	H(N[6]C[5a,6]C[6])	118.8140	1.793	2	118.8140	3.216	2	118.8140	3.216	2	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]O)(H){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,3|C<3>}	H(N[6]C[6,6]C[6])	117.0230	0.000	2	117.0230	0.000	2	117.0230	0.000	2	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6,6]C[6])	120.5030	0.000	1	120.5030	0.000	1	118.3264	1.586	10	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6,6]C[6])	118.0020	0.000	1	118.0020	0.000	1	118.3264	1.586	10	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]S[6]H)(H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6]H)(C[6]S[6]H)(H){2|C<3>,2|O<1>}	H(N[6]C[6,6]C[6])	118.3705	0.388	2	118.3705	0.151	2	118.3264	1.586	10	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6,6]C[6])	118.5350	0.000	1	118.0030	1.730	6	118.3264	1.586	10	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6,6]C[6])	117.8966	1.441	5	118.0030	1.730	6	118.3264	1.586	10	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]N[6]S)(H)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(S)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]N[6]S)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(S){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6,6]C[6])	118.3260	0.000	1	118.3260	0.000	1	118.3260	0.000	1	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(O){1|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	118.7400	0.535	2	118.7400	0.286	2	118.7400	0.286	2	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	118.9610	0.000	1	119.1154	0.779	5	119.1154	0.779	5	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	119.1540	1.014	4	119.1154	0.779	5	119.1154	0.779	5	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(H)	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a]H)(O){1|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	118.3680	0.000	1	118.3680	0.000	1	117.6645	0.990	2	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(N[6]C[6,6a]C[6])	116.9610	0.000	1	116.9610	0.000	1	117.6645	0.990	2	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[5,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.4010	0.000	1	117.4010	0.000	1	118.0330	0.799	2	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[5,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H)	C[6](N[5,6]C[5,6]S[5])(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](N[5,6]C[5,6]S[5])(N[6]C[6,6a]H)(O){1|H<1>,2|O<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	118.6650	0.000	1	118.6650	0.000	1	118.0330	0.799	2	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[5a,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H){1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(O){1|N<2>,4|C<3>}	H(N[6]C[6,6a]C[6])	114.6360	0.000	1	114.6360	0.000	1	114.6360	0.000	1	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6,6a]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]H)(H)	C[6](N[6,6a]C[6a,6a]B[6,6a])(N[6]C[6,6a]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](N[6,6a]C[6a,6a]B[6,6a])(N[6]C[6,6a]H)(H){2|O<2>,4|C<3>}	H(N[6]C[6,6a]C[6])	117.0230	0.000	1	117.0230	0.000	1	117.0230	0.000	1	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(H)	C[6](N[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(H){1|H<1>,4|C<3>}	C[6](N[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]H)(O){1|N<2>,4|C<3>}	H(N[6]C[6,6a]C[6])	117.9730	1.329	2	117.9730	1.767	2	117.9730	1.767	2	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.3980	0.000	1	117.3980	0.000	1	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.9270	0.000	1	117.9270	0.000	1	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.8422	1.401	6	118.8422	1.962	6	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.2755	2.005	4	118.5248	6.574	160	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	H(N[6]C[6,6a]C[6])	119.3975	0.152	4	118.5248	6.574	160	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	119.7920	0.000	1	118.5248	6.574	160	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	119.2690	0.994	2	118.5248	6.574	160	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	114.0490	0.000	1	118.5248	6.574	160	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.0363	2.551	11	118.5248	6.574	160	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	114.6630	0.000	1	118.5248	6.574	160	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.7625	2.460	52	118.5248	6.574	160	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.9780	2.526	2	118.5248	6.574	160	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	H(N[6]C[6,6a]C[6])	120.0866	1.647	12	118.5248	6.574	160	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.9445	2.972	41	118.5248	6.574	160	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|N<2>,2|C<3>}	H(N[6]C[6,6a]C[6])	119.5560	0.057	2	118.5248	6.574	160	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	H(N[6]C[6,6a]C[6])	120.1447	1.649	9	118.5248	6.574	160	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.8295	0.479	2	118.5248	6.574	160	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	H(N[6]C[6,6a]C[6])	119.0875	2.270	16	118.5248	6.574	160	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]S)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]S)(H){1|S<2>,2|C<3>}	H(N[6]C[6,6a]C[6])	115.0475	0.979	2	115.0475	0.959	2	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(H){2|C<3>}	H(N[6]C[6,6a]C[6])	117.4600	0.000	1	117.4600	0.000	1	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(H){2|C<3>}	H(N[6]C[6,6a]C[6])	120.8420	0.000	1	120.8420	0.000	1	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6,6a]C[6])	117.3449	2.349	9	117.3449	5.517	9	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.0121	2.040	88	117.9242	5.013	104	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	H(N[6]C[6,6a]C[6])	118.6767	1.280	3	117.9242	5.013	104	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.5290	0.000	1	117.9242	5.013	104	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.0409	3.554	12	117.9242	5.013	104	118.2490	5.908	285	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.7360	0.000	1	117.2770	3.279	3	117.2770	3.279	3	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O){1|Li<5>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.0475	2.498	2	117.2770	3.279	3	117.2770	3.279	3	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(S)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(S){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.3210	0.000	1	117.3210	0.000	1	117.5332	2.036	13	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(S)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(S){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.3930	1.829	8	117.4505	2.618	10	117.5332	2.036	13	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(S)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(S){3|C<3>}	H(N[6]C[6,6a]C[6])	117.6805	0.165	2	117.4505	2.618	10	117.5332	2.036	13	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(S)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(S){2|C<3>}	H(N[6]C[6,6a]C[6])	118.0525	0.456	2	118.0525	0.208	2	117.5332	2.036	13	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	121.8140	0.000	1	121.8140	0.000	1	119.1272	7.431	5	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	H(N[6]C[6,6a]C[6])	120.9700	0.000	1	118.1673	9.851	3	119.1272	7.431	5	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H){2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	118.7560	0.000	1	118.1673	9.851	3	119.1272	7.431	5	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H){1|O<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	114.7760	0.000	1	118.1673	9.851	3	119.1272	7.431	5	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]Ni)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]Ni)(H){1|O<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	119.3200	0.000	1	119.3200	0.000	1	119.1272	7.431	5	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O){2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	116.7810	0.000	1	117.9875	2.911	2	116.5696	2.283	14	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O){1|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	119.1940	0.000	1	117.9875	2.911	2	116.5696	2.283	14	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	118.4940	0.000	1	118.4940	0.000	1	116.5696	2.283	14	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]S)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	117.5480	0.000	1	117.5480	0.000	1	116.5696	2.283	14	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	116.9750	0.430	2	116.1809	1.463	9	116.5696	2.283	14	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){1|O<2>,5|C<3>}	H(N[6]C[6,6a]C[6])	117.2855	0.438	2	116.1809	1.463	9	116.5696	2.283	14	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	115.4150	1.312	2	116.1809	1.463	9	116.5696	2.283	14	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){5|C<3>}	H(N[6]C[6,6a]C[6])	115.4257	1.229	3	116.1809	1.463	9	116.5696	2.283	14	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|S<1>}	H(N[6]C[6,6a]C[6])	114.3290	0.000	1	114.3290	0.000	1	116.5696	2.283	14	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(S)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(S){1|O<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.1200	2.968	4	117.0682	6.619	5	117.3489	3.090	15	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(S)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(S){1|O<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	116.8610	0.000	1	117.0682	6.619	5	117.3489	3.090	15	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(S)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(S){1|S<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.1250	0.000	1	118.1250	0.000	1	117.3489	3.090	15	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6](N[6]C[6a]B[6])(N[6]C[6,6a]H)(S)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](N[6]C[6a]B[6])(N[6]C[6,6a]H)(S){1|O<2>,4|C<3>}	H(N[6]C[6,6a]C[6])	116.4455	0.052	2	116.4455	0.003	2	117.3489	3.090	15	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S){1|C<4>,1|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	117.7597	1.296	3	117.4418	2.116	6	117.3489	3.090	15	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S){1|O<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	116.7660	2.418	2	117.4418	2.116	6	117.3489	3.090	15	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S){1|S<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	117.8400	0.000	1	117.4418	2.116	6	117.3489	3.090	15	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(S)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(S){1|C<3>,1|N<2>,1|S<1>}	H(N[6]C[6,6a]C[6])	119.2250	0.000	1	119.2250	0.000	1	117.3489	3.090	15	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[3x6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[3x6]H)(H)	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	H(N[6]C[6]2)	118.0211	1.896	7	118.0211	3.595	7	118.0211	3.595	7	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:Cl-1:	N[6]-3:	N[6](C[6]C[5,6]Cl)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(Cl)	H(N[6]C[6]2)	N[6](C[6]C[5,6]Cl)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(Cl){1|C<3>,2|H<1>,2|N<3>}	H(N[6]C[6]2)	120.9770	0.000	1	120.9770	0.000	1	120.9770	0.000	1	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6]2)	115.4760	0.000	1	115.4760	0.000	1	115.4760	0.000	1	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|F<1>,1|N<2>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(N[6]C[6]2)	117.1460	0.000	1	117.1460	0.000	1	114.9942	3.758	4	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	H(N[6]C[6]2)	113.4335	0.911	2	113.4335	0.831	2	114.9942	3.758	4	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|N<3>}	H(N[6]C[6]2)	115.9640	0.000	1	115.9640	0.000	1	114.9942	3.758	4	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	H(N[6]C[6]2)	118.4650	0.000	1	118.4650	0.000	1	117.5105	1.822	2	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(H){1|H<1>,3|C<3>}	H(N[6]C[6]2)	116.5560	0.000	1	116.5560	0.000	1	117.5105	1.822	2	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-1:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(N)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(N){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	124.5340	0.000	1	124.5340	0.000	1	124.5340	0.000	1	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|N<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	H(N[6]C[6]2)	113.3130	0.000	1	116.4938	4.705	5	116.5907	2.708	8	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(N[6]C[6]2)	117.3850	0.000	1	116.4938	4.705	5	116.5907	2.708	8	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	H(N[6]C[6]2)	119.2570	0.000	1	116.4938	4.705	5	116.5907	2.708	8	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	H(N[6]C[6]2)	116.2570	0.403	2	116.4938	4.705	5	116.5907	2.708	8	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|N<2>,2|H<1>,2|N<3>}	H(N[6]C[6]2)	116.6910	0.000	1	116.6910	0.000	1	116.5907	2.708	8	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<3>,1|H<1>,3|N<3>}	H(N[6]C[6]2)	116.7290	0.000	1	116.7830	0.006	2	116.5907	2.708	8	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	H(N[6]C[6]2)	116.8370	0.000	1	116.7830	0.006	2	116.5907	2.708	8	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(S){1|N<3>,2|H<1>,2|N<2>}	H(N[6]C[6]2)	122.4020	0.000	1	122.4020	0.000	1	118.1652	10.152	6	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	117.3615	0.371	2	117.3178	7.305	5	118.1652	10.152	6	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(N[6]C[6]2)	117.0440	0.000	1	117.3178	7.305	5	118.1652	10.152	6	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S){1|C<3>,2|H<1>,2|N<2>}	H(N[6]C[6]2)	117.4110	5.384	2	117.3178	7.305	5	118.1652	10.152	6	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>}	H(N[6]C[6]2)	119.1200	0.000	1	119.1200	0.000	1	119.1200	0.000	1	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	120.2030	0.501	2	118.2906	3.407	15	118.2906	3.407	15	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H){2|H<1>,3|C<3>}	H(N[6]C[6]2)	118.5227	1.361	10	118.2906	3.407	15	118.2906	3.407	15	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H){2|H<1>,3|C<3>}	H(N[6]C[6]2)	116.2420	2.273	3	118.2906	3.407	15	118.2906	3.407	15	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(N[6]C[6]2)	117.4540	0.000	1	117.4540	0.000	1	118.0267	2.848	6	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	H(N[6]C[6]2)	120.5020	0.000	1	120.5020	0.000	1	118.0267	2.848	6	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	118.7980	0.000	1	118.7980	0.000	1	118.0267	2.848	6	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]O)2(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)2(H){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	H(N[6]C[6]2)	116.6025	1.761	2	116.6025	3.103	2	118.0267	2.848	6	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(H)	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,4|C<3>}	H(N[6]C[6]2)	118.2010	0.000	1	118.2010	0.000	1	118.0267	2.848	6	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[5]N[6])(C[6]C[6,6a]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[5]N[6])(C[6]C[6,6a]S)(H){1|Fe<10>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(N[6]C[6]2)	118.4020	0.000	1	118.4020	0.000	1	117.6148	1.484	6	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6,6a]S)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]S)(C[6]C[6]H)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S){2|H<1>,3|C<3>}	H(N[6]C[6]2)	117.2180	0.000	1	117.2180	0.000	1	117.6148	1.484	6	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6,6a]S)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]S)(C[6]N[6]C)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(N[6]C[6]2)	117.6730	0.000	1	117.6730	0.000	1	117.6148	1.484	6	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6,6a]S)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]S)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	119.5140	0.000	1	119.5140	0.000	1	117.6148	1.484	6	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6,6a]S)(C[6]N[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]S)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	H(N[6]C[6]2)	116.8140	0.000	1	116.8140	0.000	1	117.6148	1.484	6	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6,6a]S)(C[6]N[6]S)(H)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]S)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S){1|C<3>,1|N<2>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	116.0680	0.000	1	116.0680	0.000	1	117.6148	1.484	6	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	N[6]-3:	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	H(N[6]C[6]2)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.7290	0.000	1	119.2664	1.244	17	119.1014	1.033	26	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	N[6]-3:	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	H(N[6]C[6]2)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,1|H<1>}	H(N[6]C[6]2)	119.4510	0.000	1	119.2664	1.244	17	119.1014	1.033	26	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	N[6]-3:	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	H(N[6]C[6]2)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.0580	0.000	1	119.2664	1.244	17	119.1014	1.033	26	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	N[6]-3:	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	H(N[6]C[6]2)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	119.5317	0.387	3	119.2664	1.244	17	119.1014	1.033	26	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	N[6]-3:	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	H(N[6]C[6]2)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.2451	1.379	11	119.2664	1.244	17	119.1014	1.033	26	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	N[6]-3:	N[6](C[6]C[6]Br)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	H(N[6]C[6]2)	N[6](C[6]C[6]Br)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	118.8265	0.647	6	118.8265	0.419	6	119.1014	1.033	26	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	N[6]-3:	N[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	H(N[6]C[6]2)	N[6](C[6]C[6]Br)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	119.3585	0.047	2	119.3585	0.002	2	119.1014	1.033	26	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.4320	0.000	1	117.4320	0.000	1	119.1014	1.033	26	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	N[6]-3:	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl)	H(N[6]C[6]2)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.3250	1.017	8	119.3250	1.034	8	118.2039	5.453	15	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	N[6]-3:	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl)	H(N[6]C[6]2)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.3800	0.000	1	116.1180	8.614	5	118.2039	5.453	15	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	N[6]-3:	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl)	H(N[6]C[6]2)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	H(N[6]C[6]2)	115.8025	3.290	4	116.1180	8.614	5	118.2039	5.453	15	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	N[6]-3:	N[6](C[6]C[6]Cl)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl)	H(N[6]C[6]2)	N[6](C[6]C[6]Cl)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	117.9940	0.000	1	117.9940	0.000	1	118.2039	5.453	15	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	N[6]-3:	N[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl)	H(N[6]C[6]2)	N[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	H(N[6]C[6]2)	119.8750	0.000	1	119.8750	0.000	1	118.2039	5.453	15	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	H(N[6]C[6]2)	115.1370	0.000	1	115.1370	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	120.1847	1.857	3	120.1847	3.450	3	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	116.1200	0.000	1	114.2715	6.834	2	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	112.4230	0.000	1	114.2715	6.834	2	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	121.2800	1.273	2	121.2800	1.620	2	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	119.8640	0.000	1	119.8640	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H){1|N<3>,2|C<3>}	H(N[6]C[6]2)	121.0120	0.000	1	121.0120	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.4630	0.000	1	118.4630	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	121.6700	0.000	1	121.6700	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.9047	0.721	7	117.4457	10.759	21	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.4620	0.000	1	117.4457	10.759	21	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.9952	1.158	5	117.4457	10.759	21	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	114.6516	4.542	7	117.4457	10.759	21	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.0270	0.000	1	117.4457	10.759	21	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6,6]C)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	H(N[6]C[6]2)	115.6770	0.000	1	115.6770	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){3|C<3>}	H(N[6]C[6]2)	116.2683	1.833	3	116.2683	3.359	3	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]H)(H){1|H<1>,4|C<3>}	H(N[6]C[6]2)	121.1387	2.211	3	121.1387	4.887	3	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	116.3355	0.156	2	118.0836	2.050	12	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.4332	1.299	10	118.0836	2.050	12	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]N)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]N)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|N<3>,2|C<3>}	H(N[6]C[6]2)	118.1630	0.318	2	118.1630	0.101	2	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|O<2>,2|C<3>}	H(N[6]C[6]2)	118.6670	0.000	1	118.6670	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]S)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]S)(C[6]C[6]H)(H){3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(H){1|S<1>,2|C<3>}	H(N[6]C[6]2)	117.1230	0.000	1	117.1230	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.4420	0.000	1	118.3479	3.664	41	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.1647	0.544	3	118.3479	3.664	41	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	116.2380	0.000	1	118.3479	3.664	41	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	H(N[6]C[6]2)	113.0725	0.605	2	118.3479	3.664	41	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.8139	1.606	31	118.3479	3.664	41	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){3|C<3>}	H(N[6]C[6]2)	117.2210	0.000	1	118.3479	3.664	41	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.2455	0.103	2	118.3479	3.664	41	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	114.4345	5.694	2	114.4345	32.425	2	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	119.3382	2.502	5	119.3382	6.259	5	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.5700	0.000	1	118.5700	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	119.0430	0.000	1	119.0430	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>}	H(N[6]C[6]2)	119.4850	0.000	1	118.9031	1.206	15	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>}	H(N[6]C[6]2)	119.5907	0.558	3	118.9031	1.206	15	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.6627	1.178	11	118.9031	1.206	15	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	117.3086	2.564	10	117.3857	6.497	29	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	H(N[6]C[6]2)	117.0358	3.258	10	117.3857	6.497	29	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	H(N[6]C[6]2)	117.8601	1.729	9	117.3857	6.497	29	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>}	H(N[6]C[6]2)	115.1480	0.620	3	118.1116	3.455	272	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.5978	0.885	13	118.1116	3.455	272	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.9975	0.364	2	118.1116	3.455	272	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.1100	0.000	1	118.1116	3.455	272	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.4420	1.219	3	118.1116	3.455	272	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.6090	0.000	1	118.1116	3.455	272	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.5260	0.000	1	118.1116	3.455	272	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	119.9870	0.000	1	118.1116	3.455	272	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>}	H(N[6]C[6]2)	118.7600	0.000	1	118.1116	3.455	272	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	119.0200	0.262	2	118.1116	3.455	272	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	117.9901	1.872	143	118.1116	3.455	272	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	H(N[6]C[6]2)	118.6859	0.822	15	118.1116	3.455	272	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	H(N[6]C[6]2)	116.7160	0.252	2	118.1116	3.455	272	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.2331	2.086	81	118.1116	3.455	272	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<2>,2|C<3>}	H(N[6]C[6]2)	118.8660	2.928	3	118.1116	3.455	272	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	H(N[6]C[6]2)	119.7140	0.000	1	119.7140	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.6860	0.000	1	118.6860	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(N[6]C[6]2)	118.0800	0.000	1	118.0800	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.5470	0.389	2	118.6079	0.121	8	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<2>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>}	H(N[6]C[6]2)	118.6282	0.370	6	118.6079	0.121	8	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>}	H(N[6]C[6]2)	119.5045	0.405	2	118.5832	0.884	5	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	H(N[6]C[6]2)	117.5340	0.000	1	118.5832	0.884	5	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){2|C<3>}	H(N[6]C[6]2)	117.8280	0.000	1	118.5832	0.884	5	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	H(N[6]C[6]2)	118.5450	0.000	1	118.5832	0.884	5	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	119.2780	0.000	1	119.2780	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	120.9105	2.614	4	119.4683	3.847	12	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.7472	1.155	8	119.4683	3.847	12	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	H(N[6]C[6]2)	118.9659	0.607	7	118.9659	0.369	7	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	H(N[6]C[6]2)	117.9707	0.565	3	117.9707	0.319	3	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	119.9475	3.593	2	117.1164	14.135	22	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	116.8363	3.579	16	117.1164	14.135	22	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	113.7380	0.000	1	117.1164	14.135	22	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	117.8487	5.545	3	117.1164	14.135	22	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	117.9635	0.593	2	118.4230	3.336	50	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	118.8146	1.551	7	118.4230	3.336	50	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	118.3730	1.942	40	118.4230	3.336	50	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	118.6030	0.000	1	118.4230	3.336	50	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	118.6988	1.418	21	118.7319	1.891	24	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	117.6540	0.000	1	118.7319	1.891	24	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	119.6185	0.711	2	118.7319	1.891	24	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	117.6610	0.000	1	119.0113	7.092	366	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	120.8993	1.126	3	119.0113	7.092	366	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	118.0395	1.045	22	119.0113	7.092	366	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	H(N[6]C[6]2)	117.3197	2.630	3	119.0113	7.092	366	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	118.1554	1.372	35	119.0113	7.092	366	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	115.6718	3.270	4	119.0113	7.092	366	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	118.6972	2.900	5	119.0113	7.092	366	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	H(N[6]C[6]2)	121.2397	1.881	3	119.0113	7.092	366	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	H(N[6]C[6]2)	118.2954	2.183	46	119.0113	7.092	366	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	119.2220	2.175	21	119.0113	7.092	366	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	119.5773	2.908	207	119.0113	7.092	366	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	117.2419	2.499	16	119.0113	7.092	366	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]I)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]I)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	118.3624	0.918	5	118.3624	0.843	5	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	118.7030	0.916	6	118.7030	0.839	6	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<1>}	H(N[6]C[6]2)	119.7690	0.000	2	119.7690	0.000	2	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	H(N[6]C[6]2)	118.4540	0.276	2	117.5643	1.915	4	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	H(N[6]C[6]2)	116.6745	1.582	2	117.5643	1.915	4	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|N<3>}	H(N[6]C[6]2)	118.7399	0.151	8	119.6269	2.737	15	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<2>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|N<3>}	H(N[6]C[6]2)	120.0178	1.294	6	119.6269	2.737	15	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|N<3>}	H(N[6]C[6]2)	124.3780	0.000	1	119.6269	2.737	15	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]N)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	C[6](C[6]N[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	122.6670	0.000	1	122.6670	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6]2)	122.4660	0.000	1	122.4660	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	H(N[6]C[6]2)	118.7195	0.320	2	118.2560	2.338	28	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	H(N[6]C[6]2)	119.3627	0.631	3	118.2560	2.338	28	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	H(N[6]C[6]2)	118.2507	1.790	18	118.2560	2.338	28	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	H(N[6]C[6]2)	117.4258	0.223	5	118.2560	2.338	28	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	121.1470	0.000	1	121.1470	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>}	H(N[6]C[6]2)	118.6260	0.057	2	118.2756	0.562	13	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	H(N[6]C[6]2)	118.2111	0.963	7	118.2756	0.562	13	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|P<4>}	H(N[6]C[6]2)	118.8370	0.000	1	118.2756	0.562	13	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|P<4>,2|C<3>}	H(N[6]C[6]2)	118.5000	0.000	1	118.2756	0.562	13	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	H(N[6]C[6]2)	117.7580	0.024	2	118.2756	0.562	13	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	H(N[6]C[6]2)	119.0454	1.843	5	118.3595	2.767	42	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<1>}	H(N[6]C[6]2)	121.6490	0.000	1	118.3595	2.767	42	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	H(N[6]C[6]2)	118.4220	1.578	26	118.3595	2.767	42	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	H(N[6]C[6]2)	117.1022	2.240	4	118.3595	2.767	42	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<1>}	H(N[6]C[6]2)	118.5900	0.000	1	118.3595	2.767	42	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	H(N[6]C[6]2)	117.4217	0.087	3	118.3595	2.767	42	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	H(N[6]C[6]2)	117.9940	0.000	2	118.3595	2.767	42	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|S<1>}	H(N[6]C[6]2)	116.8560	0.000	1	118.7733	0.883	11	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|S<2>}	H(N[6]C[6]2)	118.9938	0.699	6	118.7733	0.883	11	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|S<3>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|S<3>}	H(N[6]C[6]2)	119.5850	0.747	2	118.7733	0.883	11	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	H(N[6]C[6]2)	118.2585	0.108	2	118.7733	0.883	11	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]2)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	119.5000	0.629	2	119.5000	0.396	2	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	119.4018	2.393	9	119.4018	5.727	9	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,2|H<1>}	H(N[6]C[6]2)	120.4267	0.733	3	120.4267	0.538	3	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<2>,2|N<3>}	H(N[6]C[6]2)	119.6997	2.056	27	119.6997	4.229	27	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	117.0890	0.000	1	117.0890	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	120.2966	1.031	5	120.0378	7.421	56	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	119.4246	2.268	30	120.0378	7.421	56	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|N<2>}	H(N[6]C[6]2)	121.3967	4.277	12	120.0378	7.421	56	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,2|N<3>}	H(N[6]C[6]2)	120.2234	1.787	7	120.0378	7.421	56	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|N<3>}	H(N[6]C[6]2)	120.1590	0.000	1	120.0378	7.421	56	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	H(N[6]C[6]2)	119.4110	0.000	1	120.0378	7.421	56	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	H(N[6]C[6]2)	119.9690	0.000	1	119.9690	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	119.0390	0.000	1	118.8876	0.110	5	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>}	H(N[6]C[6]2)	118.8498	0.370	4	118.8876	0.110	5	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]F)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	H(N[6]C[6]2)	119.0924	1.203	15	119.0924	1.447	15	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>}	H(N[6]C[6]2)	119.2990	0.351	3	119.4267	4.546	75	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	117.8228	0.213	13	119.4267	4.546	75	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	121.8470	1.785	3	119.4267	4.546	75	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	H(N[6]C[6]2)	121.6590	0.000	1	119.4267	4.546	75	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	H(N[6]C[6]2)	119.6264	2.226	49	119.4267	4.546	75	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	H(N[6]C[6]2)	118.9945	0.292	2	119.4267	4.546	75	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	118.1600	0.000	1	119.4267	4.546	75	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	124.9410	0.000	1	119.4267	4.546	75	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	H(N[6]C[6]2)	118.7135	0.042	2	119.4267	4.546	75	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	121.3100	0.000	1	119.3579	2.182	10	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	H(N[6]C[6]2)	119.4290	1.656	6	119.3579	2.182	10	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	H(N[6]C[6]2)	118.5650	0.314	3	119.3579	2.182	10	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|S<1>}	H(N[6]C[6]2)	120.4707	2.980	3	119.7123	5.225	31	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|S<2>}	H(N[6]C[6]2)	121.3557	0.412	3	119.7123	5.225	31	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	119.2069	2.433	10	119.7123	5.225	31	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	117.7443	1.217	3	119.7123	5.225	31	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	H(N[6]C[6]2)	118.7495	1.227	4	119.7123	5.225	31	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<2>}	H(N[6]C[6]2)	120.8547	3.376	3	119.7123	5.225	31	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,2|S<1>}	H(N[6]C[6]2)	120.8822	2.433	4	119.7123	5.225	31	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<3>}	H(N[6]C[6]2)	119.2090	0.000	1	119.7123	5.225	31	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	H(N[6]C[6]2)	119.8920	0.000	1	119.8920	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]B[6a]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]B[6a]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,3|O<2>}	H(N[6]C[6]2)	116.9037	0.122	3	116.9037	0.015	3	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[4]C[6])(N[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6]2)	118.7545	1.453	2	118.7545	2.112	2	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(N[6]C[6]2)	118.5200	0.250	2	118.6975	1.141	11	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(N[6]C[6]2)	118.0860	0.000	1	118.6975	1.141	11	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	H(N[6]C[6]2)	119.0567	1.807	4	118.6975	1.141	11	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	H(N[6]C[6]2)	118.5800	0.425	4	118.6975	1.141	11	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	H(N[6]C[6]2)	119.5035	0.636	2	119.5035	0.404	2	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(N[6]C[6]2)	116.6807	2.985	3	117.9827	3.649	11	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(N[6]C[6]2)	118.6620	0.000	1	117.9827	3.649	11	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	H(N[6]C[6]2)	118.9767	1.208	3	117.9827	3.649	11	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	118.0440	1.552	4	117.9827	3.649	11	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6,6]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]C[6])(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(N[6]C[6]2)	117.2825	4.110	2	117.2825	16.895	2	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(N[6]C[6]H)(H){2|H<1>,3|C<3>}	H(N[6]C[6]2)	118.4782	0.063	5	118.4782	0.004	5	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]As)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|As<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]As)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.3860	0.000	1	118.3860	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]B)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.0980	2.189	13	118.0980	4.793	13	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	113.8620	0.000	1	118.3867	1.975	31	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	120.0310	0.000	1	118.3867	1.975	31	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.4395	0.505	25	118.3867	1.975	31	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.7620	0.000	1	118.3867	1.975	31	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.7823	3.826	3	118.3867	1.975	31	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|Br<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.6270	0.000	1	118.5798	6.316	244	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|D<1>,2|H<1>}	H(N[6]C[6]2)	120.3840	0.000	1	118.5798	6.316	244	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	119.4100	2.699	24	118.5798	6.316	244	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	116.6120	0.000	1	118.5798	6.316	244	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.3005	2.681	73	118.5798	6.316	244	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.3481	2.263	50	118.5798	6.316	244	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.5100	0.007	2	118.5798	6.316	244	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	119.6972	0.630	4	118.5798	6.316	244	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.5034	2.555	76	118.5798	6.316	244	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	119.3114	1.843	8	118.5798	6.316	244	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	123.0700	0.124	2	118.5798	6.316	244	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|P<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.2040	0.000	1	118.5798	6.316	244	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.7600	0.000	1	118.5798	6.316	244	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	119.6540	0.000	1	118.0073	5.556	43	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.2263	0.427	16	118.0073	5.556	43	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.8092	3.007	26	118.0073	5.556	43	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|As<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.4550	0.000	1	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.3489	2.313	13	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	120.7343	0.213	3	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	123.7170	0.000	1	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	120.0320	0.000	1	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.5137	0.560	25	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|D<1>,2|H<1>}	H(N[6]C[6]2)	120.3470	0.000	1	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	119.1690	2.685	24	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	119.9290	0.000	1	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.3582	2.690	79	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.5404	0.632	18	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.6965	9.711	4	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	108.6940	0.000	1	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	123.8610	0.000	1	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	118.6965	1.937	8	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	H(N[6]C[6]2)	118.7735	4.668	2	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.7127	1.609	57	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	120.3866	1.917	5	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.8730	1.636	4	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	124.5750	0.000	1	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.2692	2.000	20	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	124.2810	0.000	1	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.9845	0.128	2	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	122.4493	2.418	4	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	H(N[6]C[6]2)	121.5140	0.000	1	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.6790	0.000	1	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	119.3990	0.000	1	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.9737	3.602	3	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.7240	2.100	35	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	122.0465	0.071	2	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.7295	1.653	45	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.7786	4.403	32	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	119.0475	3.102	444	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	H(N[6]C[6]2)	118.6796	4.025	29	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<1>}	H(N[6]C[6]2)	119.3070	0.000	1	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	119.6002	1.477	32	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	119.7324	1.999	563	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	H(N[6]C[6]2)	119.4166	1.629	46	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<1>}	H(N[6]C[6]2)	119.6394	3.860	8	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	H(N[6]C[6]2)	119.1389	3.014	42	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	H(N[6]C[6]2)	119.3257	0.125	6	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.0266	2.309	480	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.5649	0.302	131	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	119.0963	2.151	1540	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|W<7>,2|H<1>}	H(N[6]C[6]2)	118.9070	0.000	1	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	120.1980	0.000	1	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.1484	0.390	16	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	120.1838	0.352	4	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.9145	2.185	111	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.6641	2.088	8	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.7140	0.000	1	119.1497	5.394	3861	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]I)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]I)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.2231	0.461	18	118.2231	0.213	18	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	116.4922	9.534	4	117.9873	9.522	83	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	129.5850	0.000	1	117.9873	9.522	83	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	111.8680	0.000	1	117.9873	9.522	83	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	119.7382	2.134	8	117.9873	9.522	83	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	H(N[6]C[6]2)	120.2005	3.873	2	117.9873	9.522	83	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.6128	1.845	57	117.9873	9.522	83	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	118.3534	1.915	5	117.9873	9.522	83	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.3405	1.842	4	117.9873	9.522	83	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<2>,2|H<1>}	H(N[6]C[6]2)	114.1630	0.000	1	117.9873	9.522	83	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	114.8230	0.000	1	117.4063	5.122	23	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.8825	2.018	20	117.4063	5.122	23	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	113.9355	0.032	2	117.4063	5.122	23	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	114.1050	0.000	1	117.5542	27.873	4	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,2|P<4>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.2170	8.144	2	117.5542	27.873	4	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|P<4>,2|C<3>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.6780	0.000	1	117.5542	27.873	4	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.9605	0.049	2	117.7616	3.474	9	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	116.8320	2.384	4	117.7616	3.474	9	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	H(N[6]C[6]2)	116.7100	0.000	1	117.7616	3.474	9	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.4400	0.000	1	117.7616	3.474	9	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.4550	0.000	1	117.7616	3.474	9	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Si)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Si)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.6480	0.000	1	118.6480	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	118.2053	0.408	3	118.5758	0.547	11	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){2|H<1>,3|C<3>}	H(N[6]C[6]2)	118.7559	0.864	7	118.5758	0.547	11	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|Ni<5>,1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|Ni<5>,1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	118.4270	0.000	1	118.5758	0.547	11	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]N[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	H(N[6]C[6]2)	113.5480	7.162	2	113.5480	51.288	2	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	H(N[6]C[6]2)	123.5310	6.961	2	118.8896	12.929	30	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.5525	0.627	2	118.8896	12.929	30	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.4360	0.175	2	118.8896	12.929	30	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|N<2>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	H(N[6]C[6]2)	119.8646	1.115	14	118.8896	12.929	30	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	116.5544	4.687	10	118.8896	12.929	30	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]N)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.4560	0.190	2	118.4560	0.036	2	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	114.3500	0.000	1	114.3500	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|In<6>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	117.3630	0.000	1	117.3630	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	121.2785	0.226	2	119.7473	7.059	3	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	116.6850	0.000	1	119.7473	7.059	3	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	118.7440	0.000	1	118.7440	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]Se)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Se<1>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.9060	0.000	1	118.2150	0.955	2	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]Se)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Se<1>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	117.5240	0.000	1	118.2150	0.955	2	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	115.3500	0.000	1	115.1783	0.420	3	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	H(N[6]C[6]2)	114.4620	0.000	1	115.1783	0.420	3	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	115.7230	0.000	1	115.1783	0.420	3	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.5511	1.154	17	118.3276	4.417	128	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	H(N[6]C[6]2)	118.3992	4.206	12	118.3276	4.417	128	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.2553	1.818	93	118.3276	4.417	128	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|S<1>,2|C<3>}	H(N[6]C[6]2)	120.8650	0.000	1	118.3276	4.417	128	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.2320	2.880	5	118.3276	4.417	128	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	116.5205	1.289	2	115.7307	2.702	3	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	114.1510	0.000	1	115.7307	2.702	3	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	115.0690	0.000	1	115.0690	0.000	1	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	114.9690	2.060	3	114.9690	4.243	3	118.9512	5.550	5846	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:I-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(I)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(I){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.9641	0.598	7	118.9641	0.358	7	118.9641	0.358	7	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(N)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(N){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.7960	0.000	2	119.7960	0.000	2	119.0917	1.488	3	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-1:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(N)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(N){1|Cl<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	117.6830	0.000	1	117.6830	0.000	1	119.0917	1.488	3	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]F)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|F<1>,1|N<2>}	C[6](C[6]C[5,6]F)(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|O<2>}	H(N[6]C[6]2)	114.7630	0.000	1	114.7630	0.000	1	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5a,6]N)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]N)(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|S<2>}	H(N[6]C[6]2)	119.8980	0.000	1	119.8980	0.000	1	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	114.7850	0.000	1	114.4490	0.226	2	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|S<2>}	H(N[6]C[6]2)	114.1130	0.000	1	114.4490	0.226	2	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	H(N[6]C[6]2)	114.1850	1.474	4	114.1850	2.173	4	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(O){1|O<1>,2|C<3>}	H(N[6]C[6]2)	112.2180	0.000	1	112.2180	0.000	1	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.3640	0.000	1	117.3640	0.000	1	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	118.1460	0.000	1	118.1460	0.000	1	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|C<4>}	H(N[6]C[6]2)	116.1137	1.629	3	116.1137	2.654	3	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(O){1|C<4>,2|N<3>}	H(N[6]C[6]2)	117.3100	0.000	1	117.3100	0.000	1	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){3|N<3>}	H(N[6]C[6]2)	117.9180	0.000	1	118.1475	0.105	2	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	118.3770	0.000	1	118.1475	0.105	2	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<4>,2|N<3>}	H(N[6]C[6]2)	118.2506	0.474	5	117.8603	2.013	9	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){3|N<3>}	H(N[6]C[6]2)	117.3725	2.121	4	117.8603	2.013	9	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){3|N<3>}	H(N[6]C[6]2)	109.8090	0.000	1	109.8090	0.000	1	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,2|N<3>,2|O<1>}	H(N[6]C[6]2)	117.4745	0.233	2	117.4745	0.054	2	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	116.9290	0.194	2	116.5769	2.983	16	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|Cl<1>,1|N<2>,1|O<1>}	H(N[6]C[6]2)	117.3985	0.160	4	116.5769	2.983	16	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	114.9860	0.000	1	116.5769	2.983	16	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	116.0330	2.170	8	116.5769	2.983	16	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|O<1>}	H(N[6]C[6]2)	118.5290	0.000	1	116.5769	2.983	16	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]F)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|F<1>}	C[6](C[6]C[6]F)(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|O<1>}	H(N[6]C[6]2)	117.4010	0.000	1	117.4010	0.000	1	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|O<1>}	H(N[6]C[6]2)	120.6730	0.000	1	117.2395	3.885	37	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|Cl<1>,1|N<2>,1|O<1>}	H(N[6]C[6]2)	116.5985	2.058	2	117.2395	3.885	37	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	117.1762	1.930	34	117.2395	3.885	37	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	117.9001	2.059	14	117.0266	5.687	45	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	116.6439	2.741	18	117.0266	5.687	45	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	111.8860	0.000	1	117.0266	5.687	45	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	H(N[6]C[6]2)	118.8120	0.229	2	117.0266	5.687	45	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|O<1>}	H(N[6]C[6]2)	117.1517	1.524	3	117.0266	5.687	45	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	117.7075	0.057	2	117.0266	5.687	45	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	H(N[6]C[6]2)	115.6800	1.669	4	117.0266	5.687	45	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|N<2>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	116.9040	0.000	1	117.0266	5.687	45	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	H(N[6]C[6]2)	117.2648	1.453	14	117.2648	2.112	14	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(O){1|Ru<9>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	117.5740	0.000	1	117.5740	0.000	1	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<1>}	H(N[6]C[6]2)	115.1810	0.000	1	115.1810	0.000	1	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	114.6950	0.000	1	116.4481	4.728	18	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	117.5837	1.853	7	116.4481	4.728	18	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	115.2530	1.897	6	116.4481	4.728	18	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	113.4180	0.000	1	116.4481	4.728	18	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	117.7827	1.815	3	116.4481	4.728	18	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	116.8094	1.021	20	117.0125	3.287	36	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<2>}	H(N[6]C[6]2)	118.0377	4.632	4	117.0125	3.287	36	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	115.8070	0.818	4	117.0125	3.287	36	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<2>}	H(N[6]C[6]2)	116.5790	0.436	3	117.0125	3.287	36	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|N<3>,1|O<2>,1|S<1>}	H(N[6]C[6]2)	117.5387	0.229	4	117.0125	3.287	36	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|S<2>,2|N<3>}	H(N[6]C[6]2)	120.9890	0.000	1	117.0125	3.287	36	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	116.7320	0.000	1	116.7320	0.000	1	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6a]N[6])(N[6]C[6]H)(O){1|N<3>,1|S<1>,2|C<3>}	H(N[6]C[6]2)	117.2400	0.000	1	117.2400	0.000	1	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	118.5770	0.000	1	117.2680	1.285	3	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|C<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	116.6135	0.016	2	117.2680	1.285	3	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	115.0720	0.000	1	115.0720	0.000	1	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]N[5])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5])(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	116.1335	0.112	2	116.1335	0.013	2	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	117.3465	0.021	2	117.3465	0.000	2	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]N[6]Se)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]N[6]Se)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|Se<1>,1|C<4>,1|N<3>}	H(N[6]C[6]2)	117.1222	0.353	10	117.1222	0.124	10	116.8999	3.941	218	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6,6a]N)(C[6]C[6]S)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]N)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(S){1|C<3>,2|N<3>}	H(N[6]C[6]2)	119.9360	0.000	2	119.9360	0.000	2	117.6104	3.453	18	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,2|C<3>}	H(N[6]C[6]2)	115.5620	0.000	1	115.5620	0.000	1	117.6104	3.453	18	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	117.1990	0.052	2	117.1990	0.003	2	117.6104	3.453	18	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(S){1|C<3>,2|H<1>}	H(N[6]C[6]2)	115.4770	0.000	1	115.4770	0.000	1	117.6104	3.453	18	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|C<3>,2|H<1>}	H(N[6]C[6]2)	113.6100	0.000	1	113.6100	0.000	1	117.6104	3.453	18	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]N)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]N)(N[6]C[6]H)(S){1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.4300	0.000	1	118.4300	0.000	1	117.6104	3.453	18	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]N)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]C[6]S)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(S){1|C<3>,2|N<3>}	H(N[6]C[6]2)	118.1190	0.341	2	118.1190	0.116	2	117.6104	3.453	18	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]S)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]S)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	120.8200	0.000	1	120.8200	0.000	1	117.6104	3.453	18	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]S)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]S)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|H<1>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	118.0040	1.672	4	118.0040	2.795	4	117.6104	3.453	18	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|H<1>,2|C<3>}	H(N[6]C[6]2)	116.8547	0.485	3	116.8547	0.236	3	117.6104	3.453	18	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Se-1:	N[6]-3:	N[6](C[6]C[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(Se)	H(N[6]C[6]2)	N[6](C[6]C[6]Se)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(Se){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.4980	0.000	1	117.4980	0.000	1	117.6945	0.077	2	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Se-1:	N[6]-3:	N[6](C[6]C[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Se)	H(N[6]C[6]2)	N[6](C[6]C[6]Se)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Se){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.8910	0.000	1	117.8910	0.000	1	117.6945	0.077	2	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]N[5,6]S)(H)	C[6](N[5,6]C[5,6]N[5])(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]N[5,6]S)(H){1|C<4>,1|N<2>,3|C<3>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6]H)(S){1|C<4>,1|H<1>,3|C<3>}	H(N[6]C[6]2)	117.5670	0.000	1	117.5670	0.000	1	117.0890	0.269	3	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]N[5,6]S)(C[6]C[6]O)(H)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]N[5,6]S)(C[6]C[6]O)(H){2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]H)(S){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	116.8500	0.443	2	116.8500	0.196	2	117.0890	0.269	3	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]N[6,6]S)(C[6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]N[6,6]S)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(S){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(N[6]C[6]2)	114.4460	0.000	1	114.4460	0.000	1	114.4460	0.000	1	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5,6]Cl)(C[6]N[6]H)(H)	C[6](N[6]C[5,6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5,6]Cl)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[5,6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	H(N[6]C[6]2)	120.8860	0.000	1	120.8860	0.000	1	116.2964	9.441	5	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H)	C[6](N[6]C[5,6]Ru)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|N<3>}	C[6](N[6]C[5,6]Ru)(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	113.5305	0.880	2	113.5305	0.775	2	116.2964	9.441	5	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]N[6]H)(H)	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<1>}	H(N[6]C[6]2)	116.4680	0.000	1	116.4680	0.000	1	116.2964	9.441	5	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]N[6]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H){1|O<1>,2|C<3>}	H(N[6]C[6]2)	117.0670	0.000	1	117.0670	0.000	1	116.2964	9.441	5	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H)	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H){1|F<1>,1|H<1>,2|C<4>}	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	H(N[6]C[6]2)	114.8880	0.122	2	115.6060	0.693	4	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H)	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H){1|H<1>,3|C<4>}	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	H(N[6]C[6]2)	116.3240	0.047	2	115.6060	0.693	4	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>,2|C<4>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	115.0650	0.000	1	115.0650	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	116.5810	0.192	4	116.2748	0.530	10	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	116.0707	0.898	6	116.2748	0.530	10	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]O)(H)	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	115.2870	2.346	2	115.2870	5.505	2	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](N[6]C[6]H)2(O){1|H<1>,3|C<3>}	H(N[6]C[6]2)	118.2910	0.000	1	118.2910	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	C[6](N[6]C[5,6,6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5,6,6]H)(N[6]C[6]H)(O){1|O<1>,3|C<4>}	H(N[6]C[6]2)	117.0850	0.000	1	117.0850	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6,6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6,6]C)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|O<2>}	H(N[6]C[6]2)	116.6400	0.000	1	116.6400	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,3|C<4>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	114.8940	0.000	1	114.8940	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	116.9778	0.506	4	116.9778	0.256	4	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]S)(C[6]N[6]O)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]S)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|S<1>}	H(N[6]C[6]2)	113.1280	0.000	1	113.1280	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[5,6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[5,6]H)(N[6]C[6]H)(O){1|C<4>,3|C<3>}	H(N[6]C[6]2)	115.6380	0.000	1	115.6380	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	114.4860	0.327	2	114.4860	0.107	2	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[6]2)	113.9490	2.328	2	117.3088	2.267	45	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.3953	1.404	36	117.3088	2.267	45	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,2|C<4>}	H(N[6]C[6]2)	117.8239	0.320	7	117.3088	2.267	45	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O){2|C<4>,3|C<3>}	H(N[6]C[6]2)	120.5530	7.864	3	120.5530	61.836	3	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Co)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	119.0060	0.279	2	119.0060	0.078	2	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Cu)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(N[6]C[6]H)(O){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.0820	0.000	1	118.0820	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	116.8830	0.000	1	117.7153	3.597	87	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)2(O){2|C<3>,2|H<1>}	H(N[6]C[6]2)	119.0870	0.000	1	117.7153	3.597	87	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|F<1>,1|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	117.8540	1.132	15	117.7153	3.597	87	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	115.0780	1.938	3	117.7153	3.597	87	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	117.7092	2.306	48	117.7153	3.597	87	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|S<1>}	H(N[6]C[6]2)	116.3120	0.000	1	117.7153	3.597	87	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.8334	0.247	14	117.7153	3.597	87	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>}	H(N[6]C[6]2)	119.0503	0.270	4	117.7153	3.597	87	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Pt)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(N[6]C[6]H)(O){1|C<3>,2|H<1>}	H(N[6]C[6]2)	109.9310	0.000	1	109.9310	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	118.7925	0.097	2	118.7925	0.009	2	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(N[6]C[6]2)	117.0578	2.204	33	117.0578	4.858	33	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	115.5285	2.679	2	116.6343	2.783	11	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	116.8800	1.486	9	116.6343	2.783	11	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6]S)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6]S)(O){1|C<4>,1|H<1>,1|N<2>,1|P<4>}	H(N[6]C[6]2)	116.2850	0.000	1	116.2850	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	114.5620	0.000	1	116.1269	10.887	68	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|F<1>,1|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	116.0701	2.518	15	116.1269	10.887	68	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	116.7323	1.987	3	116.1269	10.887	68	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	116.1391	3.620	49	116.1269	10.887	68	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|F<1>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	117.7140	0.000	1	117.7140	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[5,6]C[5])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	C[6](N[6]C[5,6]C[5])(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(N[6]C[6]2)	116.8210	0.000	1	116.8210	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|O<2>,3|C<4>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6]2)	117.7195	1.848	2	117.4546	0.982	5	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6]2)	117.0350	0.000	1	117.4546	0.982	5	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(N[6]C[6]2)	117.3995	0.439	2	117.4546	0.982	5	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,3|C<4>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	115.6320	0.000	1	115.8165	1.286	4	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,2|O<1>}	H(N[6]C[6]2)	117.3610	0.000	1	115.8165	1.286	4	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	115.1365	0.718	2	115.8165	1.286	4	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]Co)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Co<4>,1|C<3>,2|C<4>}	C[6](N[6]C[6]Co)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	116.7800	0.000	1	116.7800	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]Cu)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Cu<4>,1|C<3>,2|C<4>}	C[6](N[6]C[6]Cu)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	117.1120	0.000	1	117.0575	0.034	4	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]Cu)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,2|C<4>}	C[6](N[6]C[6]Cu)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	117.0393	0.220	3	117.0575	0.034	4	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6]W)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<4>,1|W<6>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6]W)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	116.6000	0.000	1	116.6000	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]N[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]N[6]H)(O){1|Ru<9>,1|C<3>,1|O<1>}	H(N[6]C[6]2)	117.4740	0.000	1	117.4740	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	115.3162	0.988	6	116.6672	3.952	287	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	117.1410	0.959	2	116.6672	3.952	287	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,2|O<1>}	H(N[6]C[6]2)	116.9670	0.143	2	116.6672	3.952	287	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](N[6]C[6]H)2(O){1|C<3>,2|O<1>}	H(N[6]C[6]2)	115.6247	1.944	14	116.6672	3.952	287	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]H)2(O){1|C<3>,2|O<1>}	H(N[6]C[6]2)	116.8113	2.923	18	116.6672	3.952	287	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	116.3182	1.833	59	116.6672	3.952	287	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	115.7722	2.034	4	116.6672	3.952	287	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	116.4030	3.411	2	116.6672	3.952	287	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,2|O<1>}	H(N[6]C[6]2)	118.1186	1.871	35	116.6672	3.952	287	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,3|H<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	117.1913	1.345	63	116.6672	3.952	287	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	115.4439	1.758	20	116.6672	3.952	287	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Dy<21>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]H)2(O){1|Dy<21>,1|C<4>,1|O<1>,1|O<2>}	H(N[6]C[6]2)	116.9310	0.319	3	116.6672	3.952	287	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	116.1388	2.676	4	116.6672	3.952	287	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>}	H(N[6]C[6]2)	117.9345	2.654	4	116.6672	3.952	287	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6]H)2(O){1|C<3>,2|O<1>}	H(N[6]C[6]2)	117.2983	1.583	24	116.6672	3.952	287	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|Br<1>,1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	116.1158	2.500	10	116.6672	3.952	287	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|Cl<1>,1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	114.8923	1.505	16	116.6672	3.952	287	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|Cl<1>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(N[6]C[6]2)	115.6010	0.000	1	116.6672	3.952	287	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ni)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Ni<5>,1|C<3>,2|C<4>}	C[6](N[6]C[6]Ni)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	117.0385	0.042	2	116.9693	0.009	4	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ni)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Ni<6>,1|C<3>,2|C<4>}	C[6](N[6]C[6]Ni)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	116.9000	0.079	2	116.9693	0.009	4	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]Pd)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,2|C<4>}	C[6](N[6]C[6]Pd)(N[6]C[6]H)(O){1|C<4>,1|O<1>,1|O<2>}	H(N[6]C[6]2)	116.9210	0.000	1	116.9842	0.065	5	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]Pd)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,2|C<4>}	C[6](N[6]C[6]Pd)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	117.0000	0.291	4	116.9842	0.065	5	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]Pt)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,2|C<4>}	C[6](N[6]C[6]Pt)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	116.7270	0.000	1	116.7270	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|N<2>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O){1|C<3>,2|O<1>}	H(N[6]C[6]2)	117.0270	0.000	1	117.0383	0.000	3	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Zn<5>,1|C<3>,2|C<4>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	H(N[6]C[6]2)	117.0440	0.014	2	117.0383	0.000	3	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O){1|C<4>,2|C<3>,2|O<1>}	H(N[6]C[6]2)	118.4430	0.000	1	118.4430	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]S)(C[6]N[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]S)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|O<1>,1|S<1>}	H(N[6]C[6]2)	109.9690	0.000	1	109.9690	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]S)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]S)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|S<1>}	H(N[6]C[6]2)	113.5990	0.000	1	113.5990	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]H)2(O){1|H<1>,3|C<3>}	H(N[6]C[6]2)	117.1872	0.671	5	117.1872	0.450	5	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	118.9188	3.120	4	118.9188	9.732	4	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]N[6]N)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]N[6]N)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(O){1|N<2>,2|N<3>}	H(N[6]C[6]2)	118.9293	0.298	6	118.9293	0.089	6	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]N[6]N)(C[6]N[6]O)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]N[6]N)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	H(N[6]C[6]2)	119.4500	0.000	1	119.4500	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]N[6]O)2(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]N[6]O)2(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(O){1|N<2>,2|O<1>}	H(N[6]C[6]2)	119.2624	2.521	19	118.9533	6.526	23	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]N[6]O)2(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]N[6]O)2(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	117.4853	2.501	4	118.9533	6.526	23	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]N[6]O)2(H)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]N[6]O)2(H){1|Zn<4>,1|C<3>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	H(N[6]C[6]2)	118.4150	0.000	1	118.4150	0.000	1	116.9361	5.085	644	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6,6a]S)(C[6]N[6]S)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]S)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(S){1|C<3>,1|N<2>,1|S<1>}	H(N[6]C[6]2)	117.2990	0.000	1	117.0765	0.099	2	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6,6a]S)(C[6]N[6]S)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]S)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(S){1|S<1>,2|C<3>}	H(N[6]C[6]2)	116.8540	0.000	1	117.0765	0.099	2	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.1240	0.000	1	117.1240	0.000	1	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	115.9700	0.000	1	117.6623	2.621	79	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	117.2456	2.505	7	117.6623	2.621	79	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[6]2)	117.5225	0.153	2	117.6623	2.621	79	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.5330	1.636	40	117.6623	2.621	79	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	118.1851	1.136	21	117.6623	2.621	79	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,2|C<4>}	H(N[6]C[6]2)	117.0060	1.346	5	117.6623	2.621	79	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|C<4>,2|C<3>}	H(N[6]C[6]2)	119.8445	1.759	2	117.6623	2.621	79	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|H<1>,2|C<4>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	115.6600	0.000	1	117.6623	2.621	79	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	117.3492	1.940	6	117.1217	4.476	32	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)2(S){2|C<3>,2|H<1>}	H(N[6]C[6]2)	115.6090	0.000	1	117.1217	4.476	32	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	116.4570	0.000	1	117.1217	4.476	32	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	118.6090	1.530	3	117.1217	4.476	32	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	118.3950	1.172	4	117.1217	4.476	32	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|S<1>}	H(N[6]C[6]2)	116.1317	2.913	4	117.1217	4.476	32	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,2|H<1>}	H(N[6]C[6]2)	116.3622	2.520	10	117.1217	4.476	32	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	118.0590	0.164	3	117.1217	4.476	32	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	117.0757	2.022	3	117.0757	4.089	3	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|C<4>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|O<1>,2|C<3>}	H(N[6]C[6]2)	119.2950	0.000	1	117.7015	5.078	2	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){2|C<3>,2|C<4>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,2|O<1>}	H(N[6]C[6]2)	116.1080	0.000	1	117.7015	5.078	2	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]N[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](N[6]C[6]H)(N[6]N[6]H)(S){1|C<3>,1|O<1>}	H(N[6]C[6]2)	117.3160	0.000	1	117.3160	0.000	1	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	119.4670	0.000	1	117.4230	1.976	62	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	116.1709	2.045	7	117.4230	1.976	62	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	118.5263	1.798	6	117.4230	1.976	62	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	116.2750	0.000	1	117.4230	1.976	62	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]H)2(S){1|C<4>,2|O<1>}	H(N[6]C[6]2)	116.6505	0.948	4	117.4230	1.976	62	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	117.4219	1.220	20	117.4230	1.976	62	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	118.5815	1.202	4	117.4230	1.976	62	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|O<1>,1|O<2>}	H(N[6]C[6]2)	117.4935	0.181	8	117.4230	1.976	62	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,2|O<2>}	H(N[6]C[6]2)	117.6683	0.225	6	117.4230	1.976	62	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	116.1693	1.626	3	117.4230	1.976	62	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|O<1>,1|O<2>}	H(N[6]C[6]2)	118.1495	0.709	2	117.4230	1.976	62	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]S)(C[6]N[6]S)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]S)(C[6]N[6]S)(H){2|C<3>,2|C<4>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,1|O<1>,1|S<1>}	H(N[6]C[6]2)	114.9960	0.000	1	114.7430	0.128	2	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]S)(C[6]N[6]S)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]S)(C[6]N[6]S)(H){2|C<3>,2|C<4>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,2|S<1>}	H(N[6]C[6]2)	114.4900	0.000	1	114.7430	0.128	2	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]S)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]S)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|S<1>}	H(N[6]C[6]2)	114.5817	2.076	3	114.5817	4.310	3	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]N[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|H<1>,3|C<3>}	H(N[6]C[6]2)	115.3593	2.568	3	115.3593	6.595	3	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]Cu)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]N[6]S)2(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(N[6]C[6]H)(S){1|N<3>,1|S<1>,1|S<2>}	H(N[6]C[6]2)	117.7760	0.000	1	117.7760	0.000	1	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]N[6]S)2(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(S){1|N<2>,2|S<1>}	H(N[6]C[6]2)	117.6984	1.179	17	117.5691	2.049	116	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]N[6]S)2(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|N<3>,2|S<1>}	H(N[6]C[6]2)	117.5979	1.409	94	117.5691	2.049	116	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]N[6]S)2(H){1|C<4>,1|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(N[6]C[6]2)	119.1430	0.000	1	117.5691	2.049	116	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]N[6]S)2(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(S){1|N<3>,1|S<1>,1|S<2>}	H(N[6]C[6]2)	117.8955	0.387	2	117.5691	2.049	116	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]N[6]S)2(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(S){1|N<3>,1|S<1>,1|S<2>}	H(N[6]C[6]2)	114.0000	0.191	2	117.5691	2.049	116	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]N[6]S)2(H){1|Zn<5>,1|C<3>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(S){1|N<2>,1|S<1>,1|S<2>}	H(N[6]C[6]2)	118.5400	0.000	1	119.5247	2.504	3	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]N[6]S)2(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(S){1|N<3>,1|S<1>,1|S<2>}	H(N[6]C[6]2)	121.3500	0.000	1	119.5247	2.504	3	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]N[6]S)2(H){1|Zn<6>,1|C<3>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(S){1|N<2>,1|S<1>,1|S<2>}	H(N[6]C[6]2)	118.6840	0.000	1	119.5247	2.504	3	117.4592	2.637	310	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:Se-1:	N[6]-3:	N[6](C[6]N[6]Se)(C[6]C[6]C)(H)	C[6](N[6]C[6]H)2(Se)	H(N[6]C[6]2)	N[6](C[6]N[6]Se)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(Se){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	118.0778	0.281	9	118.0778	0.079	9	117.5657	0.362	19	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:Se-1:	N[6]-3:	N[6](C[6]N[6]Se)(C[6]C[6]O)(H)	C[6](N[6]C[6]H)2(Se)	H(N[6]C[6]2)	N[6](C[6]N[6]Se)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(Se){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	117.1048	0.395	10	117.1048	0.156	10	117.5657	0.362	19	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(H)	H(N[6]C[6]N[6])	N[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]N[6]H)(H){1|Re<6>,1|H<1>,2|C<3>}	H(N[6]C[6]N[6])	120.3230	0.000	1	120.3230	0.000	1	120.3230	0.000	1	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](N[6]C[6]Ru)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]N[6]H)(O)	H(N[6]C[6]N[6])	N[6](N[6]C[6]Ru)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]N[6]H)(O){1|Ru<9>,1|C<3>,1|O<1>}	H(N[6]C[6]N[6])	117.3190	0.000	1	117.3190	0.000	1	117.3190	0.000	1	118.6036	5.815	7560	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H){1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN){1|N<3>,4|C<3>}	H(N[6]C[6,6a]C[6])	117.5142	0.294	6	117.5142	0.086	6	117.5871	0.109	7	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(NN)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(NN){1|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	118.0250	0.000	1	118.0250	0.000	1	117.5871	0.109	7	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6])	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H){1|H<1>,1|S<2>,1|S<3>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,1|O<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	118.8480	0.000	1	118.8480	0.000	1	118.8480	0.000	1	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(SC)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(SC){5|C<3>}	H(N[6]C[6,6a]C[6])	120.5190	0.000	1	120.5190	0.000	1	120.5190	0.000	1	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6])	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	117.3943	2.499	6	117.3943	6.247	6	117.3943	6.247	6	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CN)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CN){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	119.4500	0.962	2	119.4500	0.925	2	119.4500	0.925	2	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(NS)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(NS){1|C<4>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.1420	0.000	1	118.1420	0.000	1	116.7857	6.253	3	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(NO)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(NO){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.3150	0.000	1	118.3150	0.000	1	116.7857	6.253	3	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]N)(NO)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]S[6]N)(NO){2|C<3>}	H(N[6]C[6,6a]C[6])	113.9000	0.000	1	113.9000	0.000	1	116.7857	6.253	3	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(OCu)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(OCu){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.7090	0.000	1	117.7090	0.000	1	117.7090	0.000	1	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6])	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<2>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]){2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	118.6139	0.878	8	118.5908	0.607	10	118.5908	0.607	10	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6])	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<3>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]){1|O<1>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	118.4985	0.227	2	118.5908	0.607	10	118.5908	0.607	10	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(NN)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(NN){1|O<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.5160	0.000	1	117.5160	0.000	1	117.5160	0.000	1	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]S)(H)	C[6](N[6]C[6,6a]H)2(SC)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]S)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)2(SC){3|C<3>}	H(N[6]C[6,6a]C[6])	122.0155	6.153	2	122.0155	37.854	2	122.0155	37.854	2	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO)	H(N[6]C[6]2)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO){1|Cd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	118.4175	0.665	4	118.0476	0.365	8	118.0476	0.365	8	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO)	H(N[6]C[6]2)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO){1|Cd<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	117.6778	0.213	4	118.0476	0.365	8	118.0476	0.365	8	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(OCu)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(OCu){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	117.7382	0.249	4	117.7382	0.062	4	117.4904	0.354	5	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(OCu)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(OCu){1|Cu<5>,1|C<3>,1|N<2>,2|N<3>}	H(N[6]C[6]2)	116.4990	0.000	1	116.4990	0.000	1	117.4904	0.354	5	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SFe)	H(N[6]C[6]2)	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SFe){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	118.1280	0.000	1	118.1280	0.000	1	118.3520	3.874	6	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SRu)	H(N[6]C[6]2)	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SRu){1|C<2>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	114.8080	0.000	1	114.8080	0.000	1	118.3520	3.874	6	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[5,6]S)(C[6]N[6]N)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SCo)	H(N[6]C[6]2)	N[6](C[6]C[5,6]S)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SCo){1|C<3>,1|N<2>,2|N<3>}	H(N[6]C[6]2)	119.2940	1.035	4	119.2940	1.070	4	118.3520	3.874	6	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]H)(N[6]C[6])	H(N[6]C[6]2)	N[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5])(N[6]C[6]H)(N[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	117.9620	0.000	1	117.9620	0.000	1	117.9620	0.000	1	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	115.6910	2.763	2	115.6910	7.636	2	116.4387	5.495	3	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NO)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NO){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	117.9340	0.000	1	117.9340	0.000	1	116.4387	5.495	3	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(OCa)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(OCa){1|C<3>,1|N<2>,2|N<3>}	H(N[6]C[6]2)	117.5850	0.000	1	117.5850	0.000	1	117.5850	0.000	1	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[5a,6]S)(C[6]N[6]N)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(SRu)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]S)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(SRu){1|C<3>,1|N<3>,2|N<2>}	H(N[6]C[6]2)	117.4710	0.000	1	117.4710	0.000	1	117.4710	0.000	1	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]N[6])(N[6]C[6]H)(OCo)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6,6]C[6,6]N[6])(N[6]C[6]H)(OCo){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	116.5980	0.000	1	116.5980	0.000	1	116.5980	0.000	1	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH){2|H<1>,3|C<3>}	H(N[6]C[6]2)	119.3970	0.000	1	119.3970	0.000	1	119.3970	0.000	1	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-2:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.9935	0.230	2	118.9935	0.053	2	118.4551	0.224	7	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-2:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC){1|C<2>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.3880	0.114	4	118.3880	0.013	4	118.4551	0.224	7	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-2:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CW)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CW){1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.6470	0.000	1	117.6470	0.000	1	118.4551	0.224	7	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	117.6343	2.716	3	117.6343	7.378	3	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	121.3670	0.000	1	121.3670	0.000	1	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NS)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	H(N[6]C[6]2)	114.7410	1.026	3	114.7410	1.053	3	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.8420	0.000	1	117.8420	0.000	1	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.9765	2.927	2	117.9765	8.566	2	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a])	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]){1|C<3>,2|H<1>}	H(N[6]C[6]2)	122.6050	0.000	1	122.6050	0.000	1	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	116.6865	4.441	2	116.3242	5.241	5	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	116.7730	0.000	1	116.3242	5.241	5	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	115.7375	0.296	2	116.3242	5.241	5	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NN)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NN){1|C<3>,2|H<1>}	H(N[6]C[6]2)	116.8163	3.042	3	116.8163	9.253	3	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NP)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NP){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.9820	0.000	1	117.9820	0.000	1	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NP[6])	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NP[6]){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.4020	0.000	1	117.4020	0.000	1	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	H(N[6]C[6]2)	116.8766	1.409	7	116.7017	2.693	25	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.0284	0.962	5	116.7017	2.693	25	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	115.0175	2.749	2	116.7017	2.693	25	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	H(N[6]C[6]2)	116.7482	1.872	11	116.7017	2.693	25	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){3|N<3>}	H(N[6]C[6]2)	120.7400	0.000	1	120.7400	0.000	1	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	120.8490	0.000	1	118.9857	3.883	4	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	118.3647	1.874	3	118.9857	3.883	4	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NPt)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NPt){1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	117.4470	0.000	1	117.4470	0.000	1	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|H<1>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	117.7740	2.135	3	117.7740	4.560	3	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)2(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	121.2215	2.420	2	121.2215	5.858	2	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5])	H(N[6]C[6]2)	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5]){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	117.0955	2.780	2	117.0955	7.726	2	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)2(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	112.3595	2.747	2	115.7257	7.614	7	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	117.1930	2.203	2	115.7257	7.614	7	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	116.9917	0.867	3	115.7257	7.614	7	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	H(N[6]C[6]2)	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	117.4390	2.424	2	117.1672	7.367	10	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	H(N[6]C[6]2)	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	117.0992	2.934	8	117.1672	7.367	10	117.1806	5.704	76	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]2)(N[6]C[6]H)(N[6]C[6])	H(N[6]C[6]2)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]2)(N[6]C[6]H)(N[6]C[6]){3|C<3>,3|H<1>}	H(N[6]C[6]2)	119.6570	2.007	2	119.6570	4.027	2	119.6570	4.027	2	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OCo)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OCo){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	116.7040	0.000	1	116.7040	0.000	1	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	122.7840	0.000	1	122.7840	0.000	1	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	H(N[6]C[6]2)	N[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	117.7910	0.000	1	117.7910	0.000	1	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.4640	0.163	2	117.4640	0.026	2	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(ONi)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(ONi){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.6930	0.000	1	117.6930	0.000	1	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(OZn)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OZn){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.3005	0.292	2	117.3005	0.085	2	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|C<3>,2|H<1>}	H(N[6]C[6]2)	114.6730	0.000	1	114.6730	0.000	1	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OFe)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OFe){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.3582	3.106	4	119.3582	9.647	4	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.9877	0.592	3	118.2418	0.861	9	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.8688	0.858	6	118.2418	0.861	9	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OZn)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OZn){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.9450	0.357	8	117.9450	0.128	8	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(OMo)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(OMo){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.7205	0.220	2	118.7205	0.048	2	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]Ir)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	H(N[6]C[6]2)	N[6](C[6]C[6]Ir)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|Ir<6>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	116.7340	0.000	1	116.7340	0.000	1	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|N<2>,1|N<3>,1|O<2>}	H(N[6]C[6]2)	119.7874	0.444	21	119.7874	0.197	21	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo){1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	114.0180	3.820	2	114.0180	14.591	2	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(OFe)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OFe){1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	116.8420	0.000	1	116.8420	0.000	1	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(OMn)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OMn){1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	116.3870	0.000	1	116.3870	0.000	1	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(OH)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<1>}	H(N[6]C[6]2)	116.9210	0.000	1	116.9210	0.000	1	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|N<2>,1|O<2>,1|S<2>}	H(N[6]C[6]2)	118.8440	0.000	1	118.8440	0.000	1	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OCa)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OCa){1|N<3>,1|O<1>,1|S<1>}	H(N[6]C[6]2)	117.5295	0.023	2	117.5265	0.067	4	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OCa)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OCa){1|N<3>,1|O<2>,1|S<1>}	H(N[6]C[6]2)	117.5235	0.448	2	117.5265	0.067	4	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OLi)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OLi){1|N<3>,1|O<1>,1|S<1>}	H(N[6]C[6]2)	117.3285	0.142	2	117.5950	0.047	6	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OLi)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OLi){1|N<3>,1|O<2>,1|S<1>}	H(N[6]C[6]2)	117.7283	0.026	4	117.5950	0.047	6	118.3823	2.899	70	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]N[6]S)(N[6]C[6]H)(SNi)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<4>,1|N<2>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]H)(SNi){1|C<3>,1|C<4>}	H(N[6]C[6]2)	118.1070	0.000	1	118.1070	0.000	1	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]N[6]S)(N[6]C[6]H)(SPt)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<4>,1|N<2>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]H)(SPt){1|C<3>,1|C<4>}	H(N[6]C[6]2)	118.8100	0.000	1	118.8100	0.000	1	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(SMn)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(SMn){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.5175	0.067	2	117.5175	0.005	2	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(SS)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(SS){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.9070	0.000	1	118.9070	0.000	1	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SC)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SC){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.7395	1.431	4	118.7395	2.048	4	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCd)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SCd){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.8897	0.196	3	117.8897	0.038	3	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.9462	0.292	6	117.9462	0.085	6	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SFe)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SFe){1|C<3>,2|H<1>}	H(N[6]C[6]2)	111.9120	0.000	1	111.9120	0.000	1	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SIr)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SIr){1|C<3>,2|H<1>}	H(N[6]C[6]2)	116.2940	0.000	1	116.2940	0.000	1	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SMo)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SMo){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.9710	0.000	1	117.9710	0.000	1	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SPt)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SPt){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.3325	0.194	2	118.3325	0.038	2	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SRe)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SRe){1|C<3>,2|H<1>}	H(N[6]C[6]2)	122.2490	0.000	1	122.2490	0.000	1	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SRh)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SRh){1|C<3>,2|H<1>}	H(N[6]C[6]2)	116.3610	0.000	1	116.3610	0.000	1	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SS)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SS){1|C<3>,2|H<1>}	H(N[6]C[6]2)	116.8960	0.000	1	116.8960	0.000	1	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SZn)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SZn){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.1500	0.023	2	118.1500	0.001	2	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(SNi)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(N[6]C[6]H)(SNi){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.1240	0.406	2	118.1240	0.165	2	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(SPd)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(N[6]C[6]H)(SPd){1|C<3>,2|H<1>}	H(N[6]C[6]2)	115.9670	4.398	2	115.9670	19.344	2	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(SPt)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(N[6]C[6]H)(SPt){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.3010	0.000	1	119.3010	0.000	1	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]S)(N[6]C[6]H)(SFe)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]H)(SFe){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.1635	0.247	2	118.1635	0.061	2	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]S)(N[6]C[6]H)(SNi)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]H)(SNi){1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.6855	0.332	4	118.6855	0.110	4	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]S)(N[6]C[6]H)(SPd)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]H)(SPd){1|C<3>,1|H<1>}	H(N[6]C[6]2)	119.4530	0.000	1	119.4530	0.000	1	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]S)(N[6]C[6]H)(SPt)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]H)(SPt){1|C<3>,1|H<1>}	H(N[6]C[6]2)	120.1520	0.000	1	120.1520	0.000	1	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]N)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(SC[6a])	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]C[6]S)(H){1|C<4>,2|C<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(SC[6a]){1|H<1>,1|N<3>,2|C<3>}	H(N[6]C[6]2)	116.9710	0.000	1	116.9710	0.000	1	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]S)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu)	H(N[6]C[6]2)	N[6](C[6]C[6]S)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu){1|H<1>,1|N<2>,1|S<2>}	H(N[6]C[6]2)	117.9495	0.678	2	117.9495	0.460	2	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu){1|H<1>,2|C<3>}	H(N[6]C[6]2)	119.5975	0.496	2	119.5975	0.246	2	118.0877	2.626	46	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(N[6]C[6]H)(N[6]C[6])	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(N[6]C[6]H)(N[6]C[6]){2|H<1>,3|C<3>}	H(N[6]C[6]2)	123.4253	2.222	3	123.4253	4.936	3	120.7307	5.827	13	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6])	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	120.1340	0.000	1	120.1340	0.000	1	120.7307	5.827	13	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]N[6]N)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6])(C[6]N[6]N)(H){3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	H(N[6]C[6]2)	120.5515	2.095	4	120.5515	4.389	4	120.7307	5.827	13	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])2(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]N[6])	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6])2(H){1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]N[6]){1|N<2>,2|H<1>,4|C<3>}	H(N[6]C[6]2)	122.7110	0.000	1	122.7110	0.000	1	120.7307	5.827	13	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])2(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6])	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6])2(H){1|S<3>,2|C<3>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(N[6]C[6]2)	117.9210	0.016	2	118.5430	0.518	4	120.7307	5.827	13	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])2(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6])	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6])2(H){1|S<3>,2|C<3>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6]){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(N[6]C[6]2)	119.1650	0.081	2	118.5430	0.518	4	120.7307	5.827	13	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	N[5a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]N[5a]N[6])(C[6]C[6]C)(H)	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]C[6])	H(N[6]C[6]2)	N[6](C[6]N[5a]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(N[6]C[6]2)	120.0210	0.000	1	120.0210	0.000	1	119.4670	0.589	3	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	N[5a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]N[5a]N[6])2(H)	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]P[6])	H(N[6]C[6]2)	N[6](C[6]N[5a]N[6])2(H){1|P<4>,2|C<3>,2|N<2>}	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]P[6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(N[6]C[6]2)	119.1900	0.847	2	119.1900	0.718	2	119.4670	0.589	3	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NC)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]H)2(NC){1|C<4>,2|O<1>}	H(N[6]C[6]2)	115.8870	8.549	2	115.8870	73.084	2	117.4807	21.021	7	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]N[6]N)(C[6]N[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(NO)	H(N[6]C[6]2)	N[6](C[6]N[6]N)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(NO){1|N<3>,2|O<1>}	H(N[6]C[6]2)	114.2420	0.000	1	114.2420	0.000	1	117.4807	21.021	7	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)2(NC)	H(N[6]C[6]2)	N[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(NC){3|N<2>}	H(N[6]C[6]2)	118.7200	4.828	2	118.7200	23.311	2	117.4807	21.021	7	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)2(NH)	H(N[6]C[6]2)	N[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(NH){1|N<2>,2|N<3>}	H(N[6]C[6]2)	119.4545	1.817	2	119.4545	3.300	2	117.4807	21.021	7	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]2)(H)	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6])	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]2)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	H(N[6]C[6]2)	119.4585	0.658	2	119.4585	0.433	2	119.1145	1.005	4	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]N[6]2)2(H)	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6])	H(N[6]C[6]2)	N[6](C[6]N[6]2)2(H){1|C<3>,4|C<4>}	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6]){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	H(N[6]C[6]2)	118.7705	1.452	2	118.7705	2.107	2	119.1145	1.005	4	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(SCu)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(SCu){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	116.9420	4.499	4	116.9420	20.239	4	116.9406	12.694	17	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(SCu)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(SCu){1|C<3>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	112.0820	0.000	1	112.0820	0.000	1	116.9406	12.694	17	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(SRu)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(SRu){1|C<3>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	118.8325	0.226	2	118.8325	0.051	2	116.9406	12.694	17	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(SCu)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(SCu){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	115.6442	4.646	4	115.9264	16.590	5	116.9406	12.694	17	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(SCu)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(SCu){1|C<3>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	117.0550	0.000	1	115.9264	16.590	5	116.9406	12.694	17	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(SRu)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(SRu){1|C<3>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	116.5640	0.665	2	116.5640	0.442	2	116.9406	12.694	17	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(SZn)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(SZn){1|C<3>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	116.4430	0.000	1	116.4430	0.000	1	116.9406	12.694	17	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]Cu)(N[6]C[6]H)(SCu)	H(N[6]C[6]2)	N[6](C[6]N[6]S)2(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(N[6]C[6]H)(SCu){1|N<3>,2|S<1>}	H(N[6]C[6]2)	118.2100	0.000	1	118.2100	0.000	1	116.9406	12.694	17	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(SZn)	H(N[6]C[6]2)	N[6](C[6]N[6]S)2(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(SZn){1|N<3>,2|S<1>}	H(N[6]C[6]2)	123.0630	0.000	1	123.0630	0.000	1	116.9406	12.694	17	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6,6a]N)(N[6]C[6]Ni)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN)	H(N[6]C[6]N[6])	N[6](C[6]C[6,6a]N)(N[6]C[6]Ni)(H){1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN){1|Ni<6>,1|H<1>,3|C<3>}	H(N[6]C[6]N[6])	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	118.0098	5.057	307	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(COO)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[5a,6]C[6])	121.0980	0.000	1	121.0980	0.000	1	121.0980	0.000	1	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,3|H<1>,4|C<3>}	H(N[6]C[5a,6]C[6])	120.7430	0.000	1	120.7430	0.000	1	121.5322	3.667	6	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(H){1|C<4>,1|N<2>,5|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,3|C<3>,4|H<1>}	H(N[6]C[5a,6]C[6])	118.8420	0.000	1	119.4415	0.719	2	121.5322	3.667	6	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(H){1|C<4>,1|N<2>,5|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,3|H<1>,4|C<3>}	H(N[6]C[5a,6]C[6])	120.0410	0.000	1	119.4415	0.719	2	121.5322	3.667	6	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6])(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	H(N[6]C[5a,6]C[6])	123.1890	0.093	3	123.1890	0.009	3	121.5322	3.667	6	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H)	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(NHH)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6]C[5a,6]C[6])	121.5580	0.000	1	121.5580	0.000	1	121.5580	0.000	1	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6]H){1|C<4>,3|H<1>,6|C<3>}	H(N[6]C[6,6]C[6])	119.2260	0.000	1	119.2260	0.000	1	119.2260	0.000	1	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(NHH)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6,6]C[6])	119.0840	0.140	2	119.0840	0.020	2	119.0840	0.020	2	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(H)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH){1|H<1>,3|C<3>}	H(N[6]C[6,6]C[6])	116.5003	0.959	3	116.5003	0.919	3	116.5003	0.919	3	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H)	C[6](C[5]C[5,6a]C[5])(N[6]C[6,6a]H)(C[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5]C[5,6a]C[5])(N[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(N[6]C[6,6a]C[6])	117.5350	0.000	1	117.5350	0.000	1	117.5350	0.000	1	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]H){1|H<1>,1|S<2>,5|C<3>}	H(N[6]C[6,6a]C[6])	119.7510	0.119	2	119.7510	0.014	2	119.7510	0.014	2	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	118.0510	0.000	1	118.0510	0.000	1	118.0510	0.000	1	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CCF)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CCF){1|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	119.9390	0.000	1	119.9390	0.000	1	119.9390	0.000	1	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	H(N[6]C[6,6a]C[6])	116.8140	0.000	1	116.8140	0.000	1	116.8140	0.000	1	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(CCH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(CCH){4|C<3>}	H(N[6]C[6,6a]C[6])	118.8397	0.185	3	118.8397	0.034	3	118.8397	0.034	3	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	117.3305	0.108	2	117.3305	0.012	2	116.8673	0.649	3	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(C[6]N[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(N[6]C[6,6a]C[6])	115.9410	0.000	1	115.9410	0.000	1	116.8673	0.649	3	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(N[6]C[6,6a]C[6])	118.2350	0.000	1	118.2350	0.000	1	118.2350	0.000	1	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(NCH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(NCH){1|S<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	116.8470	0.709	2	116.8470	0.502	2	116.8470	0.502	2	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(N[6]S[6]Co)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(N[6]S[6]Co){1|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	119.4553	2.585	4	119.4553	6.681	4	119.4553	6.681	4	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	117.7277	2.833	3	117.7277	8.024	3	117.7277	8.024	3	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]C)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	119.4940	0.000	1	119.4940	0.000	1	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.9130	0.000	1	119.9785	8.533	2	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|N<3>,2|C<3>}	H(N[6]C[6,6a]C[6])	122.0440	0.000	1	119.9785	8.533	2	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|Cl<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	109.9000	0.000	1	113.5645	26.857	2	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.2290	0.000	1	113.5645	26.857	2	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	121.2050	0.000	1	113.6758	11.965	10	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	112.8392	2.364	9	113.6758	11.965	10	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	116.2360	0.000	1	117.4700	3.046	2	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.7040	0.000	1	117.4700	3.046	2	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CNS)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.8090	0.000	1	118.8090	0.000	1	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.4100	0.000	1	119.0825	5.148	21	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	H(N[6]C[6,6a]C[6])	114.2640	0.000	1	119.0825	5.148	21	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	119.1383	2.207	15	119.0825	5.148	21	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|N<3>,2|C<3>}	H(N[6]C[6,6a]C[6])	120.7575	2.039	2	119.0825	5.148	21	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	H(N[6]C[6,6a]C[6])	119.7340	0.655	2	119.0825	5.148	21	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CCH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CCH){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	112.2070	0.000	1	112.2070	0.000	1	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(CHN)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(CHN){2|C<3>}	H(N[6]C[6,6a]C[6])	115.2790	2.152	2	115.2790	4.633	2	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|C<4>,2|C<3>}	H(N[6]C[6,6a]C[6])	116.1110	2.131	4	116.4258	3.903	5	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.6850	0.000	1	116.4258	3.903	5	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]O)(CCH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]O[6]O)(CCH){2|C<3>}	H(N[6]C[6,6a]C[6])	115.9475	3.198	2	115.9475	10.229	2	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6,6a]C[6])	117.2520	0.000	1	117.2520	0.000	1	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]2)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]2){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6,6a]C[6])	117.7630	0.000	1	117.7630	0.000	1	117.0514	11.314	51	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(NBH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(NBH){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	119.1350	1.831	2	119.1350	3.354	2	119.1350	3.354	2	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,1|O<2>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C){4|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	119.1230	0.000	1	119.3605	0.113	2	118.3494	0.731	7	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	119.5980	0.000	1	119.3605	0.113	2	118.3494	0.731	7	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	117.9450	0.594	5	117.9450	0.353	5	118.3494	0.731	7	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](N[6]C[3]C[6])(N[6]C[6,6a]H)(CCH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](N[6]C[3]C[6])(N[6]C[6,6a]H)(CCH){2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]C[6])	120.3850	0.000	1	120.3850	0.000	1	120.3850	0.000	1	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C[5]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5]N[6])(H)	C[6](N[6]C[6,6a]H)2(C[5]C[5]2)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,5|C<3>}	H(N[6]C[6,6a]C[6])	119.9785	3.221	2	119.9785	10.374	2	119.9785	10.374	2	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]N)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6,6]H)(NHH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]N)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(N[6]C[6,6]H)(NHH){1|H<1>,1|N<3>,2|C<3>}	H(N[6]C[6,6a]C[6])	119.4375	5.646	2	119.4375	31.880	2	119.4375	31.880	2	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(N[6]C[6]2)	117.8870	0.049	2	117.9447	0.011	4	117.9447	0.011	4	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	118.0025	0.134	2	117.9447	0.011	4	117.9447	0.011	4	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]H){1|Pt<4>,1|H<1>,2|C<4>,3|C<3>}	H(N[6]C[6]2)	118.0220	0.000	1	118.0220	0.000	1	121.3638	9.244	4	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	H(N[6]C[6]2)	125.1710	0.000	1	125.1710	0.000	1	121.3638	9.244	4	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	121.1310	1.400	2	121.1310	1.960	2	121.3638	9.244	4	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[5a,6]C)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(COO)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(COO){1|N<3>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	114.9100	0.000	1	114.9100	0.000	1	114.9100	0.000	1	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	120.0955	2.857	2	121.2773	8.273	3	118.5675	5.279	63	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(N[6]C[6]2)	123.6410	0.000	1	121.2773	8.273	3	118.5675	5.279	63	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	118.4257	1.406	43	118.3560	4.760	54	118.5675	5.279	63	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(N[6]C[6]2)	118.0837	4.101	11	118.3560	4.760	54	118.5675	5.279	63	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NPtH)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NPtH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	122.5860	0.000	1	122.5860	0.000	1	118.5675	5.279	63	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	H(N[6]C[6]2)	117.9940	0.000	1	117.9940	0.000	1	118.5675	5.279	63	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,2|N<3>}	H(N[6]C[6]2)	119.6375	1.309	2	119.6375	1.713	2	118.5675	5.279	63	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]O)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	117.4215	3.303	2	117.4215	10.909	2	118.5675	5.279	63	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:S-3:	N[6]-3:	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(SCu2)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(SCu2){1|C<3>,1|H<1>,2|N<2>}	H(N[6]C[6]2)	118.5910	0.000	1	118.5910	0.000	1	118.5910	0.000	1	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	H(N[6]C[6]2)	122.3553	4.185	6	121.8860	14.891	8	119.7609	6.702	27	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	122.8640	0.000	1	121.8860	14.891	8	119.7609	6.702	27	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	H(N[6]C[6]2)	118.0920	0.000	1	121.8860	14.891	8	119.7609	6.702	27	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|N<2>,3|H<1>}	H(N[6]C[6]2)	118.7040	0.000	1	118.8202	0.990	12	119.7609	6.702	27	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	H(N[6]C[6]2)	119.0722	0.815	5	118.8202	0.990	12	119.7609	6.702	27	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6]2)	118.3050	0.000	1	118.8202	0.990	12	119.7609	6.702	27	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(N[6]C[6]2)	118.1587	0.778	4	118.8202	0.990	12	119.7609	6.702	27	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	120.8370	0.000	1	118.8202	0.990	12	119.7609	6.702	27	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	118.4730	0.000	1	118.4730	0.000	1	119.7609	6.702	27	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6a]C[6])(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	H(N[6]C[6]2)	120.5820	0.000	2	120.5820	0.000	2	119.7609	6.702	27	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]N[6]O)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	118.2090	0.000	1	118.2090	0.000	1	119.7609	6.702	27	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5a]C[6])2(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])2(H){1|C<4>,2|C<2>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	H(N[6]C[6]2)	118.4185	0.022	2	118.4185	0.000	2	119.7609	6.702	27	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5a]C[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]S[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])2(H){1|S<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]S[6]H)(N[6]C[6]H){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	H(N[6]C[6]2)	117.9310	0.000	1	117.9310	0.000	1	119.7609	6.702	27	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]2)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]2)(N[6]C[6]H){2|H<1>,7|C<3>}	H(N[6]C[6]2)	119.7120	0.000	1	119.7120	0.000	1	120.2693	2.148	3	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]H){1|C<4>,2|H<1>,6|C<3>}	H(N[6]C[6]2)	120.5480	1.957	2	120.5480	3.831	2	120.2693	2.148	3	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]2)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]2){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(N[6]C[6]2)	118.1210	0.000	1	118.1210	0.000	1	118.6680	0.598	2	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCC)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCC){1|C<4>,1|O<1>,2|C<3>}	H(N[6]C[6]2)	119.2150	0.000	1	119.2150	0.000	1	118.6680	0.598	2	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6,6a]N)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]N)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH){2|H<1>,3|C<3>}	H(N[6]C[6]2)	118.1830	0.477	2	118.1830	0.227	2	116.0746	4.036	5	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6,6a]N)(C[6]C[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]N)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH){1|C<3>,1|O<1>,1|S<1>,2|N<3>}	H(N[6]C[6]2)	115.0970	0.000	2	115.0970	0.000	2	116.0746	4.036	5	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6,6a]N)(C[6]N[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]N)(C[6]N[6]N)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH){1|N<2>,1|O<1>,3|N<3>}	H(N[6]C[6]2)	113.8130	0.000	1	113.8130	0.000	1	116.0746	4.036	5	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,5|C<3>}	H(N[6]C[6]2)	120.5650	0.000	1	120.5650	0.000	1	119.4647	3.789	50	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	H(N[6]C[6]2)	118.3690	0.099	2	118.3690	0.010	2	119.4647	3.789	50	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	H(N[6]C[6]2)	118.5120	0.000	1	118.7703	0.257	4	119.4647	3.789	50	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H){1|S<3>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	118.5210	0.092	2	118.7703	0.257	4	119.4647	3.789	50	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H){2|H<1>,3|C<3>}	H(N[6]C[6]2)	119.5270	0.000	1	118.7703	0.257	4	119.4647	3.789	50	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	H(N[6]C[6]2)	121.3465	5.826	2	119.5699	4.811	36	119.4647	3.789	50	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	H(N[6]C[6]2)	124.9445	0.450	2	119.5699	4.811	36	119.4647	3.789	50	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	H(N[6]C[6]2)	118.4750	0.000	1	119.5699	4.811	36	119.4647	3.789	50	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	H(N[6]C[6]2)	119.1614	1.474	30	119.5699	4.811	36	119.4647	3.789	50	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	H(N[6]C[6]2)	118.6160	0.000	1	119.5699	4.811	36	119.4647	3.789	50	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6]2)	121.4540	0.000	1	121.4540	0.000	1	119.4647	3.789	50	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	H(N[6]C[6]2)	120.5395	0.011	2	120.5395	0.000	2	119.4647	3.789	50	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]2)2(H)	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]2)2(H){1|S<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	H(N[6]C[6]2)	118.6615	0.011	2	118.6615	0.000	2	119.4647	3.789	50	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]2)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	H(N[6]C[6]2)	118.2390	0.041	2	118.2390	0.002	2	119.4647	3.789	50	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H){1|Fe<10>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H){1|Fe<10>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6]2)	116.7370	0.000	1	116.7370	0.000	1	117.4813	0.495	3	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(H)	C[6](C[6]N[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	H(N[6]C[6]2)	118.1350	0.000	1	118.1350	0.000	1	117.4813	0.495	3	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]N[5,6]S)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]N[5,6]S)(H){1|C<4>,1|N<2>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,3|H<1>}	H(N[6]C[6]2)	117.5720	0.000	1	117.5720	0.000	1	117.4813	0.495	3	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	H(N[6]C[6]2)	119.9780	0.000	1	119.9780	0.000	1	118.8167	7.603	4	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]N[5])2(H)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]N[5])2(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(N[6]C[6]2)	117.0055	2.973	2	117.0055	8.841	2	118.8167	7.603	4	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[6]-3:	N[6]-3:	N[6](C[6]N[5a]C[6])(C[6]C[6]N[5])(H)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]N[5a]C[6])(C[6]C[6]N[5])(H){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	H(N[6]C[6]2)	121.2780	0.000	1	121.2780	0.000	1	118.8167	7.603	4	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[5,5,6]O)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]H)	H(N[6]C[6]2)	N[6](C[6]C[5,5,6]O)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]H){1|O<1>,2|C<4>}	H(N[6]C[6]2)	117.8390	0.000	1	117.8390	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H){1|C<4>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	116.4605	0.226	2	116.4605	0.051	2	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(N[6]C[6]H)(CCH)	H(N[6]C[6]2)	N[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(N[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(N[6]C[6]2)	119.3100	0.000	1	119.3100	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	H(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){3|C<3>}	H(N[6]C[6]2)	119.9300	0.000	1	119.9300	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.2640	0.000	1	118.2640	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCN)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.7920	0.000	1	117.7920	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCC)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCC){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.2090	2.035	2	117.2090	4.141	2	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.0423	1.137	9	119.0423	1.292	9	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.5306	1.511	14	119.5306	2.283	14	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCO){1|C<3>,2|H<1>}	H(N[6]C[6]2)	120.1850	1.263	4	120.1850	1.595	4	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5]H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5]H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.6630	0.000	1	119.6630	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5a]2)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5a]2){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.2780	0.000	1	118.2780	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.1610	0.632	3	119.1610	0.399	3	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]O)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.8590	0.000	1	118.8590	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CClO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CClO){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.1730	0.000	1	119.1730	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.8110	2.016	14	118.8110	4.063	14	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNN)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CNN){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.2470	0.000	1	118.2470	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	H(N[6]C[6]2)	119.0843	3.161	3	118.2909	4.713	8	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.8148	1.580	5	118.2909	4.713	8	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]O)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]O){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.9820	1.581	2	119.9820	2.500	2	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.7140	0.000	1	118.9802	8.168	25	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	121.6450	0.000	1	118.9802	8.168	25	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.8759	2.928	23	118.9802	8.168	25	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(COO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.7797	1.028	3	118.7797	1.057	3	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(COO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]P)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.6110	0.000	1	118.6110	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(COO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.5120	0.000	1	117.5120	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]Cl)(N[6]C[6]H)(CCC)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>}	C[6](C[6]N[6]Cl)(N[6]C[6]H)(CCC){1|C<3>,1|H<1>}	H(N[6]C[6]2)	117.8910	0.000	1	117.8910	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(COO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[5,6]C)(N[6]C[6]H)(COO){1|N<3>,3|C<3>}	H(N[6]C[6]2)	118.5360	0.000	1	118.5360	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	117.2090	0.000	1	117.2090	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	117.8000	0.741	2	117.8000	0.549	2	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H){1|C<4>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	117.1310	0.000	1	117.1310	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,1|H<1>,1|P<4>}	H(N[6]C[6]2)	118.6170	0.000	1	118.6170	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|N<2>,2|O<1>}	H(N[6]C[6]2)	118.2320	0.000	1	118.2320	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	116.2740	0.000	1	116.2740	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHN)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CHN){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.8045	0.026	2	118.8045	0.001	2	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.1000	0.006	2	118.1000	0.000	2	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHP)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHP){1|C<3>,2|C<4>}	H(N[6]C[6]2)	120.2580	0.316	3	120.2580	0.100	3	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	120.7970	0.000	1	119.0293	6.449	20	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.7706	3.200	9	119.0293	6.449	20	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|O<2>,2|C<3>}	H(N[6]C[6]2)	119.0854	2.024	10	119.0293	6.449	20	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|H<1>,2|C<3>}	H(N[6]C[6]2)	112.8830	0.000	1	112.8830	0.000	1	118.8287	4.198	135	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]Br)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]Br)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Br<1>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	119.3368	1.236	6	119.3368	1.527	6	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(NC[6a]H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[5,6]C)(N[6]C[6]H)(NC[6a]H){4|C<3>}	H(N[6]C[6]2)	121.3320	0.000	1	121.3320	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|C<4>}	H(N[6]C[6]2)	117.3645	0.172	2	117.3645	0.030	2	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.5270	0.000	1	118.5270	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.9108	2.557	5	118.9108	6.540	5	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	117.8080	0.000	1	117.8080	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	114.3120	0.000	1	114.3120	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.5000	0.000	1	118.5000	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	117.6162	1.715	40	117.6578	2.834	42	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|C<4>}	H(N[6]C[6]2)	118.4905	0.151	2	117.6578	2.834	42	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	119.5270	2.567	4	119.5270	6.587	4	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]Cl)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]Cl)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	120.1790	0.000	1	120.1790	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.0930	0.000	1	118.2488	20.343	4	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.9673	5.481	3	118.2488	20.343	4	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NCH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	122.4950	0.000	1	122.4950	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.2440	0.000	1	119.2440	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]C)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]C){1|C<3>,2|H<1>}	H(N[6]C[6]2)	120.2490	2.749	2	120.2490	7.558	2	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	120.8653	4.286	4	120.8653	18.368	4	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.3991	1.026	22	118.2296	0.837	31	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.8152	0.324	9	118.2296	0.837	31	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	115.8700	0.796	2	115.8700	0.634	2	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCC)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCC){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.2495	0.129	2	118.2495	0.017	2	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.0480	0.000	1	117.9293	4.575	67	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.4035	1.088	2	117.9293	4.575	67	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.9126	2.183	64	117.9293	4.575	67	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCN)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCN){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.1817	0.079	3	118.1817	0.006	3	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5a]H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5a]H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	116.9680	0.083	2	116.9680	0.007	2	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]2)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]2){1|C<3>,2|H<1>}	H(N[6]C[6]2)	112.0620	0.000	1	112.0620	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C){1|C<3>,2|H<1>}	H(N[6]C[6]2)	113.1660	0.000	1	113.1660	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	116.3411	5.846	25	116.3411	34.173	25	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.9546	3.568	15	118.7731	4.686	235	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.9210	0.812	2	118.7731	4.686	235	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.7629	1.952	38	118.7731	4.686	235	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.1388	0.452	6	118.7731	4.686	235	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	119.6912	2.136	46	118.7731	4.686	235	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.3723	2.064	101	118.7731	4.686	235	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.1126	1.664	21	118.7731	4.686	235	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.4872	0.356	6	118.7731	4.686	235	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.6790	1.399	2	117.6790	1.956	2	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHP)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.6850	0.912	2	117.6850	0.832	2	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.3765	1.978	2	117.3765	3.912	2	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NZnN)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NZnN){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.3600	0.235	2	118.3600	0.055	2	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NC[3]H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NC[3]H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	119.1790	0.000	1	119.1790	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.5320	0.000	1	117.9620	3.122	40	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.6884	1.373	35	117.9620	3.122	40	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	120.2127	3.387	4	117.9620	3.122	40	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.0263	2.424	4	119.0263	5.874	4	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(NSnH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(NSnH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	114.6950	0.000	1	114.6950	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH){2|H<1>,3|C<3>}	H(N[6]C[6]2)	119.2795	2.039	2	119.2795	4.156	2	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]N[6]C)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.7465	0.115	8	118.7465	0.013	8	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	122.5210	0.000	1	119.0270	7.710	8	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<2>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>}	H(N[6]C[6]2)	119.3245	1.635	6	119.0270	7.710	8	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH){1|Fe<6>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	113.7480	0.000	1	119.0270	7.710	8	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]C[6]S)(H){1|C<4>,2|C<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|H<1>,1|S<2>,2|C<3>}	H(N[6]C[6]2)	120.1540	0.000	1	120.1540	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]C[6]S)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	118.1430	0.338	2	118.1430	0.114	2	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH){1|N<2>,2|C<4>}	H(N[6]C[6]2)	120.2015	0.992	2	120.2015	0.984	2	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<4>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	117.8500	0.000	1	117.8500	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|O<1>,2|N<3>}	H(N[6]C[6]2)	119.5030	0.000	1	119.5030	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Cl<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	119.0235	0.128	4	119.7802	2.283	33	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,2|N<3>}	H(N[6]C[6]2)	121.3860	0.425	4	119.7802	2.283	33	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<3>,2|N<2>}	H(N[6]C[6]2)	121.6320	0.000	2	119.7802	2.283	33	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,2|N<3>}	H(N[6]C[6]2)	121.2720	0.000	1	119.7802	2.283	33	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|O<1>,2|N<3>}	H(N[6]C[6]2)	118.9297	0.364	4	119.7802	2.283	33	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){3|N<3>}	H(N[6]C[6]2)	119.4918	1.645	18	119.7802	2.283	33	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|O<1>,2|N<3>}	H(N[6]C[6]2)	117.4420	0.000	1	117.4420	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH){1|C<4>,2|C<3>,2|N<3>}	H(N[6]C[6]2)	118.6045	0.149	2	118.6045	0.022	2	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	119.0970	0.000	1	119.0970	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	119.1407	2.499	15	119.0513	5.955	16	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	117.7110	0.000	1	119.0513	5.955	16	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	117.9880	2.102	42	118.8700	10.562	90	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	119.6418	3.853	48	118.8700	10.562	90	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NRuH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NRuH){1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	117.0550	0.000	1	117.0550	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<2>,1|S<1>}	H(N[6]C[6]2)	117.8560	0.000	1	118.5014	0.177	5	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	118.6627	0.249	4	118.5014	0.177	5	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)2(H){1|Br<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>}	H(N[6]C[6]2)	121.4820	0.000	1	117.5696	23.836	15	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)2(H){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	117.2901	4.940	14	117.5696	23.836	15	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	117.3957	1.803	3	117.3957	3.253	3	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	H(N[6]C[6]2)	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	119.8010	0.000	1	119.8010	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)2(H){1|Br<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>}	H(N[6]C[6]2)	115.1920	0.000	1	118.1942	4.188	113	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	118.8100	2.481	5	118.1942	4.188	113	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	118.6660	2.400	11	118.1942	4.188	113	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	118.1393	1.982	96	118.1942	4.188	113	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	117.2450	2.189	5	117.2450	4.791	5	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]Pd)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]Pd)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Pd<4>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	116.8260	0.000	1	116.8260	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.0220	0.000	1	118.0220	0.000	1	118.4259	6.397	813	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]2)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]2)(N[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	H(N[6]C[6]2)	119.4940	0.000	1	119.4940	0.000	1	118.3526	0.247	15	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	H(N[6]C[6]2)	118.6940	0.000	1	118.6940	0.000	1	118.3526	0.247	15	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]N[6])(C[6]N[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]N[6])(C[6]N[6]N)(H){1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6]H){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	H(N[6]C[6]2)	119.5150	0.000	1	119.5150	0.000	1	118.3526	0.247	15	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]N[6])2(H)	C[6](C[6]C[6]2)(N[6]C[6]H)2	H(N[6]C[6]2)	N[6](C[6]C[6]N[6])2(H){2|H<1>,5|C<3>}	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|O<1>}	H(N[6]C[6]2)	118.1152	0.084	6	118.1322	0.009	12	118.3526	0.247	15	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]N[6])2(H)	C[6](C[6]C[6]2)(N[6]C[6]H)2	H(N[6]C[6]2)	N[6](C[6]C[6]N[6])2(H){2|H<1>,5|C<3>}	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|N<3>,2|C<3>,2|O<1>,2|O<2>}	H(N[6]C[6]2)	118.1492	0.112	6	118.1322	0.009	12	118.3526	0.247	15	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu2)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu2){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.4488	1.964	4	118.4488	3.858	4	118.8415	2.716	6	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]S)(N[6]C[6]H)(SFe2)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|S<3>}	C[6](C[6]N[6]S)(N[6]C[6]H)(SFe2){1|C<3>,1|H<1>}	H(N[6]C[6]2)	119.6270	0.390	2	119.6270	0.152	2	118.8415	2.716	6	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6])(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,5|C<3>}	H(N[6]C[6]2)	115.3030	0.000	2	115.3030	0.000	2	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[3x6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[3x6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[3x6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	118.7699	1.741	7	118.7699	3.031	7	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]S[6]C)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]2)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]C)(N[6]C[6]H){2|H<1>,2|O<1>,4|C<3>}	H(N[6]C[6]2)	118.2795	0.032	2	118.2795	0.001	2	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	117.7670	0.000	1	117.7670	0.000	1	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	H(N[6]C[6]2)	118.6700	0.000	1	118.6700	0.000	1	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	117.6800	0.000	1	117.0928	16.339	11	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	116.8631	3.382	7	117.0928	16.339	11	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	H(N[6]C[6]2)	114.3530	6.064	2	117.0928	16.339	11	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,4|C<3>}	H(N[6]C[6]2)	123.5930	0.000	1	117.0928	16.339	11	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	H(N[6]C[6]2)	117.9850	0.000	1	117.9850	0.000	1	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(N[6]C[6]2)	113.5810	0.000	1	118.2548	7.815	5	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	H(N[6]C[6]2)	119.5840	0.000	1	118.2548	7.815	5	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	H(N[6]C[6]2)	119.3697	1.400	3	118.2548	7.815	5	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6]2)	120.5750	0.000	1	118.6438	5.599	113	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	123.0680	0.000	1	118.6438	5.599	113	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6]2)	122.9460	0.000	1	118.6438	5.599	113	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6]2)	118.5285	1.703	2	118.6438	5.599	113	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6]2)	121.1860	0.000	1	118.6438	5.599	113	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6]2)	121.4550	0.000	1	118.6438	5.599	113	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	118.9844	4.331	13	118.6438	5.599	113	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	118.9933	2.576	17	118.6438	5.599	113	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<1>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	117.8220	0.000	1	118.6438	5.599	113	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6]2)	118.3062	1.740	75	118.6438	5.599	113	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	H(N[6]C[6]2)	120.3590	2.389	2	119.2868	1.368	17	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	118.1030	0.000	1	119.2868	1.368	17	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H){2|H<1>,3|C<3>}	H(N[6]C[6]2)	119.2181	0.977	14	119.2868	1.368	17	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]Ir)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]Ir)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|Ir<6>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	119.0760	2.672	4	119.0760	7.141	4	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(N[6]C[6]2)	118.1320	0.000	1	118.1320	0.000	1	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(N[6]C[6]2)	122.8810	0.000	1	120.3187	4.101	4	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(N[6]C[6]2)	120.9610	0.000	1	120.3187	4.101	4	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(N[6]C[6]2)	118.4080	0.000	1	120.3187	4.101	4	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(N[6]C[6]2)	119.0250	0.000	1	120.3187	4.101	4	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<1>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	117.1153	1.118	3	116.3520	1.779	5	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	115.2070	0.495	2	116.3520	1.779	5	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]N[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]N[6]N)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	119.4020	0.000	1	119.4020	0.000	1	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(N[6]C[6]2)	118.3257	0.483	4	118.3338	0.175	5	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	H(N[6]C[6]2)	118.3660	0.000	1	118.3338	0.175	5	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]N[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<3>,1|S<1>,3|C<3>,3|H<1>}	H(N[6]C[6]2)	121.1430	2.536	3	121.1430	6.433	3	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])2(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	H(N[6]C[6]2)	120.3100	0.000	1	120.3100	0.000	1	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])2(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	H(N[6]C[6]2)	115.5060	0.000	1	115.5060	0.000	1	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])2(H){1|C<2>,1|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	H(N[6]C[6]2)	119.1315	1.484	2	119.0464	1.740	16	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])2(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	H(N[6]C[6]2)	119.0180	0.093	2	119.0464	1.740	16	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])2(H){1|C<4>,2|C<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	H(N[6]C[6]2)	119.0796	1.625	10	119.0464	1.740	16	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])2(H){1|C<4>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	H(N[6]C[6]2)	118.8235	0.009	2	119.0464	1.740	16	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])2(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){3|H<1>,5|C<3>}	H(N[6]C[6]2)	119.0615	0.056	2	117.9217	8.554	10	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])2(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	H(N[6]C[6]2)	117.8590	0.067	4	117.9217	8.554	10	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])2(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	H(N[6]C[6]2)	117.6075	3.436	2	117.9217	8.554	10	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])2(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|Pt<4>,2|H<1>,4|C<3>}	H(N[6]C[6]2)	111.6820	0.000	1	117.9217	8.554	10	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])2(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	H(N[6]C[6]2)	122.7610	0.000	1	117.9217	8.554	10	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]S[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])2(H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]H)(N[6]C[6]H){2|H<1>,2|O<1>,4|C<3>}	H(N[6]C[6]2)	118.3115	0.573	2	118.3115	0.329	2	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])2(H){2|H<1>,2|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|H<1>,1|S<1>,4|C<3>}	H(N[6]C[6]2)	118.7600	0.000	1	118.7600	0.000	1	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])2(H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H){1|H<1>,2|O<1>,4|C<3>}	H(N[6]C[6]2)	118.2865	0.510	2	118.2865	0.260	2	118.5676	5.377	216	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](NC[6a]C[3])(C[6]C[6]N)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](NC[6a]C[3])(C[6]C[6]N)(N[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	122.3630	0.000	1	122.3630	0.000	1	122.3630	0.000	1	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]In[5,5])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|In<6>,2|C<3>,2|H<1>}	C[6](N[5]C[5,6a]In[5,5])(C[6]C[6]H)(N[6]C[6]H){3|Cl<1>,2|H<1>,2|N<3>,3|C<3>}	H(N[6]C[6]2)	118.3780	0.000	1	118.3780	0.000	1	118.3780	0.000	1	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[5a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]N[5a]C[6])(C[6]C[6]N[5])(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]N[5a]C[6])(C[6]C[6]N[5])(H){2|H<1>,5|C<3>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(N[6]C[6]2)	121.4600	0.000	1	121.4600	0.000	1	121.4600	0.000	1	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(CCC)	H(N[6]C[6]2)	N[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(CCC){1|N<3>,2|O<1>}	H(N[6]C[6]2)	114.1020	0.378	2	114.1020	0.143	2	117.1987	8.004	6	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(CCH)	H(N[6]C[6]2)	N[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(CCH){1|N<3>,2|O<1>}	H(N[6]C[6]2)	118.5670	3.314	2	118.5670	10.979	2	117.1987	8.004	6	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]H)2(CNN)	H(N[6]C[6]2)	N[6](C[6]N[6]C)2(H){1|C<4>,2|H<1>}	C[6](N[6]C[6]H)2(CNN){1|C<3>,1|N<3>,2|H<1>}	H(N[6]C[6]2)	118.9270	0.020	2	118.9270	0.000	2	117.1987	8.004	6	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H)	C[6](N[6]C[5,6]Pt)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|N<3>}	C[6](N[6]C[5,6]Pt)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	118.1810	0.000	1	118.1810	0.000	1	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H)	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	116.6510	0.000	1	116.6510	0.000	1	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H)	C[6](N[6]C[5a,6]Pt)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|N<3>}	C[6](N[6]C[5a,6]Pt)(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|O<1>}	H(N[6]C[6]2)	116.8790	0.000	1	116.8790	0.000	1	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NC[6a]H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)2(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	116.3907	2.159	3	116.3907	4.661	3	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	118.4270	0.000	1	118.8780	0.504	9	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.5070	0.000	1	118.8780	0.504	9	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	119.1884	0.858	5	118.8780	0.504	9	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|C<4>,1|N<3>}	H(N[6]C[6]2)	118.5130	0.016	2	118.8780	0.504	9	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.5910	0.000	1	118.5910	0.000	1	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	119.8570	0.000	1	119.8570	0.000	1	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	119.4740	0.000	1	119.0041	2.450	28	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	119.8280	0.000	1	119.0041	2.450	28	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	117.9935	0.978	2	119.0041	2.450	28	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	118.7553	0.144	4	119.0041	2.450	28	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,2|N<3>}	H(N[6]C[6]2)	119.1484	1.897	18	119.0041	2.450	28	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|C<4>,1|N<3>}	H(N[6]C[6]2)	118.5670	0.025	2	119.0041	2.450	28	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	117.2050	0.000	1	118.9368	6.368	12	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	117.9170	0.000	1	118.9368	6.368	12	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	125.7190	0.000	1	118.9368	6.368	12	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	117.7544	0.538	5	118.9368	6.368	12	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	119.4073	1.913	4	118.9368	6.368	12	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)2(NHH)	H(N[6]C[6]2)	N[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(NHH){1|N<2>,2|N<3>}	H(N[6]C[6]2)	119.6007	1.252	12	119.6007	1.567	12	118.8956	2.979	69	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Cu)(N[6]C[6]H)(SCu2)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(N[6]C[6]H)(SCu2){1|C<3>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	119.2790	0.000	1	119.2790	0.000	1	119.2790	0.000	1	118.5373	5.931	1532	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	H(N[6]C[5,6]C[6])	120.5640	0.000	1	119.1530	3.982	2	118.3937	7.907	6	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[5,6]C[6])	117.7420	0.000	1	119.1530	3.982	2	118.3937	7.907	6	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|C<4>,4|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	H(N[6]C[5,6]C[6])	120.0480	0.000	1	120.0480	0.000	1	118.3937	7.907	6	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(CH3)	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]H)(CH3){1|O<1>,2|N<3>}	H(N[6]C[5,6]C[6])	116.5535	4.963	2	116.5535	24.633	2	118.3937	7.907	6	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(N[6]C[5,6]C[6])	118.9010	0.000	1	118.9010	0.000	1	118.3937	7.907	6	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|H<1>,1|S<2>,2|C<3>}	H(N[6]C[5a,6]C[6])	119.6980	0.000	1	119.6980	0.000	1	120.1016	7.668	10	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CClHH)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,2|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CClHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[5a,6]C[6])	117.3760	0.000	1	117.3760	0.000	1	120.1016	7.668	10	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CF3)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|N<2>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CF3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[5a,6]C[6])	122.2030	0.000	1	122.2030	0.000	1	120.1016	7.668	10	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|N<2>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[5a,6]C[6])	121.0400	0.076	2	120.0918	11.164	6	120.1016	7.668	10	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,2|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[5a,6]C[6])	125.0190	0.000	1	120.0918	11.164	6	120.1016	7.668	10	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[5a,6]C[6])	114.7390	0.000	1	120.0918	11.164	6	120.1016	7.668	10	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[5a,6]C[6])	119.3565	0.064	2	120.0918	11.164	6	120.1016	7.668	10	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]N)(CCHH)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[5a,6]C[6])	121.1880	0.000	1	121.1880	0.000	1	120.1016	7.668	10	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6,6]C[6])	118.8700	0.000	1	118.5321	0.844	18	118.1225	1.985	22	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6,6]C[6])	118.5122	0.943	17	118.5321	0.844	18	118.1225	1.985	22	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|Y<14>,1|H<1>,1|O<3>,3|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<5>,1|H<1>}	H(N[6]C[6,6]C[6])	114.2680	0.000	1	114.6660	0.317	2	118.1225	1.985	22	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|Yb<14>,1|H<1>,1|O<3>,3|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<5>,1|H<1>}	H(N[6]C[6,6]C[6])	115.0640	0.000	1	114.6660	0.317	2	118.1225	1.985	22	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]C)(H){2|C<4>,3|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(N[6]C[6,6]C[6])	117.8930	0.033	2	117.8930	0.001	2	118.1225	1.985	22	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CN[5a]HH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CN[5a]HH){1|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	123.7440	0.000	1	123.7440	0.000	1	123.7440	0.000	1	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[5,6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H)	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(CH3)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(CH3){1|S<2>,4|C<3>}	H(N[6]C[6,6a]C[6])	116.6790	0.000	1	116.6790	0.000	1	116.6790	0.000	1	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>}	H(N[6]C[6,6a]C[6])	119.9770	0.000	1	119.0632	2.386	4	118.9258	9.488	61	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){3|C<3>}	H(N[6]C[6,6a]C[6])	118.7587	1.738	3	119.0632	2.386	4	118.9258	9.488	61	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|O<2>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.2640	0.000	1	118.2640	0.000	1	118.9258	9.488	61	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.2978	2.146	21	118.3557	6.452	33	118.9258	9.488	61	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	H(N[6]C[6,6a]C[6])	120.5540	2.240	7	118.3557	6.452	33	118.9258	9.488	61	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.3690	1.208	2	118.3557	6.452	33	118.9258	9.488	61	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|N<3>,2|C<3>}	H(N[6]C[6,6a]C[6])	120.6227	2.244	3	118.3557	6.452	33	118.9258	9.488	61	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CBrHH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CBrHH){2|C<3>}	H(N[6]C[6,6a]C[6])	117.7900	0.000	1	117.7900	0.000	1	118.9258	9.488	61	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3){2|C<3>}	H(N[6]C[6,6a]C[6])	121.7300	3.909	2	120.5847	11.575	3	118.9258	9.488	61	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.2940	0.000	1	120.5847	11.575	3	118.9258	9.488	61	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3){2|C<3>}	H(N[6]C[6,6a]C[6])	121.5490	0.000	1	119.0430	4.851	3	118.9258	9.488	61	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|S<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3){1|O<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.7900	0.532	2	119.0430	4.851	3	118.9258	9.488	61	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(N[6]C[6,6a]C[6])	119.9535	1.736	2	120.2350	1.744	3	118.9258	9.488	61	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6,6a]C[6])	120.7980	0.000	1	120.2350	1.744	3	118.9258	9.488	61	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	135.5510	0.000	1	135.5510	0.000	1	118.9258	9.488	61	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.5288	1.143	11	118.5288	1.307	11	118.9258	9.488	61	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[6,6a]C[6])	117.4710	0.000	1	117.4710	0.000	1	118.9258	9.488	61	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](N[6]B[5a,6]H)(N[6]C[6,6a]H)(CH3)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|B<4>,2|C<3>,2|H<1>}	C[6](N[6]B[5a,6]H)(N[6]C[6,6a]H)(CH3){2|C<3>,2|O<2>}	H(N[6]C[6,6a]C[6])	118.0810	0.000	1	118.0810	0.000	1	118.2248	2.073	4	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CCHH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|B<4>,2|C<3>,2|H<1>}	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CCHH){2|C<3>,2|O<2>}	H(N[6]C[6,6a]C[6])	117.1330	0.000	1	117.1330	0.000	1	118.2248	2.073	4	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CH3)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|B<4>,2|C<3>,2|H<1>}	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CH3){2|C<3>,2|O<2>}	H(N[6]C[6,6a]C[6])	117.3860	0.000	1	117.3860	0.000	1	118.2248	2.073	4	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]N)(CH3)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]N)(CH3){1|O<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	120.2990	0.000	1	120.2990	0.000	1	118.2248	2.073	4	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6])(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(N[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	120.1910	0.000	1	120.1910	0.000	1	119.0740	2.495	2	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6,6]N[6,6]N[6])(N[6]C[6]H)(CCCH)	H(N[6]C[6]2)	N[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6]N[6,6]N[6])(N[6]C[6]H)(CCCH){1|C<3>,1|O<1>,2|C<4>}	H(N[6]C[6]2)	117.9570	0.000	1	117.9570	0.000	1	119.0740	2.495	2	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:B-4:	N[6]-3:	N[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(BC[6a]3)	H(N[6]C[6]2)	N[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	H(N[6]C[6]2)	115.4552	2.883	5	115.4552	8.311	5	115.4552	8.311	5	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]O)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[5,6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	119.1000	0.000	1	119.1000	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.8350	0.000	1	118.8350	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(N[6]C[6]2)	116.8730	0.000	1	116.8730	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.9226	1.186	13	117.9226	1.407	13	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrCH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrCH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.2230	0.000	1	118.2230	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.9260	0.000	1	117.9260	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.9028	1.394	15	117.9028	1.942	15	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]HH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(N[6]C[6]2)	119.6870	0.000	1	119.6870	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]OO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.2420	0.000	1	118.2420	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]CO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]CO){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.7775	0.694	2	117.7775	0.481	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	115.5815	1.258	2	115.5815	1.582	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HO){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.4650	0.000	1	117.4650	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.2810	0.000	1	119.2810	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCuCH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCuCH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.4570	0.000	1	118.4570	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>}	H(N[6]C[6]2)	121.0567	0.697	3	119.1096	2.809	54	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.0666	2.639	7	119.1096	2.809	54	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.7640	0.000	1	119.1096	2.809	54	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.9738	0.744	15	119.1096	2.809	54	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.9693	1.815	26	119.1096	2.809	54	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(N[6]C[6]2)	120.7050	0.000	1	119.1096	2.809	54	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.0060	0.000	1	119.1096	2.809	54	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.0440	2.052	75	119.0440	4.211	75	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.9745	3.053	2	118.9745	9.318	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.3210	0.272	2	118.3210	0.074	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(N[6]C[6]2)	120.9667	1.953	3	120.0657	5.180	7	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.3900	2.529	4	120.0657	5.180	7	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.4920	0.000	1	118.4920	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.7875	0.487	2	118.7875	0.237	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5a]HH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.5620	0.000	1	119.5620	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.9060	2.753	2	119.9060	7.582	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	119.4993	3.585	10	118.6518	8.723	19	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.7101	1.809	9	118.6518	8.723	19	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.8960	0.000	1	117.8960	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.0350	0.257	2	118.4647	0.271	9	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	117.6700	0.000	1	118.4647	0.271	9	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<2>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.7403	0.359	6	118.4647	0.271	9	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.5560	0.433	2	118.5573	0.094	3	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.5600	0.000	1	118.5573	0.094	3	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(N[6]C[6]2)	117.4205	0.207	2	117.4205	0.043	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(N[6]C[6]2)	118.5410	0.000	1	118.5410	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CF3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CF3){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	117.8467	2.790	3	117.8467	7.785	3	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(N[6]C[6]2)	118.4365	0.062	2	118.0937	3.651	53	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(N[6]C[6]2)	117.0923	3.271	3	118.0937	3.651	53	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	118.1420	1.874	48	118.0937	3.651	53	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	117.8520	0.000	1	117.8520	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	117.7430	0.140	5	117.5086	0.222	7	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	116.5390	0.000	1	117.5086	0.222	7	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<3>}	H(N[6]C[6]2)	117.3060	0.000	1	117.5086	0.222	7	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|O<1>,3|C<4>}	H(N[6]C[6]2)	117.9500	0.000	1	117.0282	6.341	4	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(N[6]C[6]2)	115.4125	2.760	2	117.0282	6.341	4	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(N[6]C[6]2)	119.3380	0.000	1	117.0282	6.341	4	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	H(N[6]C[6]2)	118.2710	0.000	1	118.2710	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|S<1>,2|C<3>}	H(N[6]C[6]2)	117.9930	0.000	1	117.9930	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|S<1>}	H(N[6]C[6]2)	117.2605	0.043	2	117.2605	0.002	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(CCHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<4>,1|N<2>,1|S<2>}	C[6](C[6]N[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|S<2>}	H(N[6]C[6]2)	118.0230	0.799	2	118.0230	0.638	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	117.2800	2.092	2	117.2800	4.375	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	118.8657	0.724	3	118.8657	0.524	3	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3){1|O<1>,2|N<3>}	H(N[6]C[6]2)	118.3990	0.000	1	118.3990	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|N<3>}	H(N[6]C[6]2)	120.7260	1.699	3	120.7260	2.887	3	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	119.5540	1.372	32	119.5287	2.516	62	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,2|N<2>}	H(N[6]C[6]2)	119.7490	1.458	15	119.5287	2.516	62	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	118.6707	0.495	3	119.5287	2.516	62	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|N<2>,1|N<3>,1|O<2>}	H(N[6]C[6]2)	120.2070	3.247	6	119.5287	2.516	62	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|N<3>}	H(N[6]C[6]2)	118.5030	0.000	1	119.5287	2.516	62	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|O<1>,2|N<3>}	H(N[6]C[6]2)	118.6124	0.543	5	119.5287	2.516	62	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH){2|C<3>,3|N<3>}	H(N[6]C[6]2)	118.6060	0.007	2	119.3558	0.252	29	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH){1|N<2>,2|C<3>,2|N<3>}	H(N[6]C[6]2)	119.4113	0.474	27	119.3558	0.252	29	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CFHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CFHH){1|N<2>,2|C<3>,2|N<3>}	H(N[6]C[6]2)	118.7747	0.408	3	118.7747	0.166	3	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]C)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,2|C<3>}	H(N[6]C[6]2)	119.6610	0.000	1	119.6610	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	118.2135	0.050	2	118.2135	0.003	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CClHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CClHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	117.9860	0.000	1	117.9860	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	118.5435	0.819	33	118.6325	1.027	37	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	120.6160	2.281	2	118.6325	1.027	37	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	118.1180	1.297	2	118.6325	1.027	37	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	117.8384	0.333	7	116.9543	15.951	10	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	114.8913	7.895	3	116.9543	15.951	10	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<1>}	H(N[6]C[6]2)	119.3350	0.000	1	119.3350	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	118.1605	1.548	40	118.2440	2.959	53	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	117.8375	0.398	2	118.2440	2.959	53	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,1|S<1>}	H(N[6]C[6]2)	118.6494	2.775	7	118.2440	2.959	53	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<1>}	H(N[6]C[6]2)	116.6570	0.000	1	118.2440	2.959	53	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(N[6]C[6]2)	120.2100	0.000	1	118.2440	2.959	53	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	117.0500	0.000	1	118.2440	2.959	53	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	120.3730	0.000	1	118.2440	2.959	53	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<1>}	H(N[6]C[6]2)	117.4491	1.109	11	117.7720	5.865	15	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<2>}	H(N[6]C[6]2)	118.6600	4.673	4	117.7720	5.865	15	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<1>}	H(N[6]C[6]2)	119.8710	0.000	1	118.9352	1.531	19	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	H(N[6]C[6]2)	119.5368	0.850	5	118.9352	1.531	19	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|N<2>,1|O<2>,1|S<2>}	H(N[6]C[6]2)	119.2740	0.000	1	118.9352	1.531	19	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	114.9640	0.000	1	118.9352	1.531	19	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	118.4090	0.672	5	118.9352	1.531	19	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,1|S<1>}	H(N[6]C[6]2)	119.3217	0.635	6	118.9352	1.531	19	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO){1|N<3>,1|O<1>,1|S<1>}	H(N[6]C[6]2)	117.9980	0.079	3	117.9980	0.006	3	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCCH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCCH){1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2)	116.7185	0.745	2	116.7185	0.554	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[6]2)	118.6555	0.050	2	118.6555	0.003	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.4070	0.007	2	117.8677	2.683	194	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.1535	0.016	2	117.8677	2.683	194	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	119.1390	0.000	1	117.8677	2.683	194	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|P<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.6490	0.272	3	117.8677	2.683	194	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.8768	0.742	6	117.8677	2.683	194	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	117.7205	3.494	2	117.8677	2.683	194	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[6]2)	117.8345	0.088	2	117.8677	2.683	194	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.8147	1.626	169	117.8677	2.683	194	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,3|C<3>}	H(N[6]C[6]2)	118.8375	0.016	2	117.8677	2.683	194	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	116.8123	1.202	3	117.8677	2.683	194	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,2|C<3>}	H(N[6]C[6]2)	117.4820	6.248	2	117.8677	2.683	194	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHHO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.5835	0.476	2	117.5835	0.226	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CN[6]HH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CN[6]HH){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.3760	0.110	2	118.3760	0.012	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CBHH){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	115.6090	0.000	1	115.6090	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrHH){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.2455	2.321	2	118.2455	5.389	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	116.8670	2.582	2	118.6825	4.544	11	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,2|C<4>}	H(N[6]C[6]2)	118.4937	2.201	6	118.6825	4.544	11	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<4>,2|C<3>}	H(N[6]C[6]2)	120.2703	0.302	3	118.6825	4.544	11	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH){1|C<3>,2|C<4>}	H(N[6]C[6]2)	115.6100	3.079	2	115.6100	9.479	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	117.4928	1.893	4	117.4928	3.583	4	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCOO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCOO){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.0650	2.138	2	118.0650	4.572	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.1230	1.848	4	118.1230	3.413	4	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.5030	2.749	2	118.5030	7.558	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.1845	0.005	2	117.9825	3.452	93	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.0684	1.561	9	117.9825	3.452	93	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|B<3>,1|C<3>,1|C<4>}	H(N[6]C[6]2)	117.4460	0.044	2	117.9825	3.452	93	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	117.9085	1.983	56	117.9825	3.452	93	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(N[6]C[6]2)	118.1509	1.866	24	117.9825	3.452	93	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	117.9532	1.705	6	117.8461	2.503	7	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.2040	0.000	1	117.8461	2.503	7	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO){1|C<3>,2|C<4>}	H(N[6]C[6]2)	118.2015	1.383	4	118.2015	1.912	4	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.3225	3.574	2	118.3225	12.777	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	117.7322	0.076	4	117.7322	0.006	4	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	116.3560	0.000	1	116.3560	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CCHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	116.8449	1.561	8	116.8449	2.436	8	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	116.9500	0.000	1	116.9500	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]P[6])(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|P<4>}	C[6](C[6]C[6]P[6])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(N[6]C[6]2)	118.6303	0.119	3	118.6303	0.014	3	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|N<2>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>}	H(N[6]C[6]2)	117.8031	1.677	7	117.6512	1.079	30	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|N<3>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	117.6050	0.804	23	117.6512	1.079	30	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]Ir)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]Ir)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Ir<6>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	115.9890	0.000	1	115.9890	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	116.3430	0.000	1	116.3430	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]Os)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(N[6]C[6]2)	N[6](C[6]C[6]Os)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Os<6>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	114.1590	0.000	1	113.6420	0.535	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]Os)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(N[6]C[6]2)	N[6](C[6]C[6]Os)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Os<7>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	113.1250	0.000	1	113.6420	0.535	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]Os)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]Os)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Os<7>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	122.4720	0.000	1	120.6745	6.462	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]Os)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]Os)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Os<8>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	118.8770	0.000	1	120.6745	6.462	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,3|C<3>}	H(N[6]C[6]2)	118.6820	0.000	1	118.6820	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,2|C<3>}	H(N[6]C[6]2)	122.1190	4.989	2	119.7981	11.611	9	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(N[6]C[6]2)	119.1350	3.004	7	119.7981	11.611	9	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]S[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	C[6](C[6]S[6]H)(N[6]C[6]H)(CH3){2|C<3>,2|O<1>}	H(N[6]C[6]2)	117.9910	0.000	1	117.9910	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]N[5a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(N[6]C[6]2)	N[6](C[6]N[5a]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<2>,1|N<3>,1|O<2>}	H(N[6]C[6]2)	120.0730	0.041	2	120.0730	0.002	2	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]N[6,6]S)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]N[6,6]S)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6,6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	120.1620	0.000	1	120.1620	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]N[6]Se)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH)	H(N[6]C[6]2)	N[6](C[6]N[6]Se)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH){1|Se<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	118.0798	0.225	4	118.0798	0.051	4	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]N[6]Se)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(N[6]C[6]2)	N[6](C[6]N[6]Se)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Se<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	117.9675	0.367	4	117.9675	0.135	4	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]N[6]Se)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]N[6]Se)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Se<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	118.2700	0.000	1	118.2700	0.000	1	118.3453	3.376	954	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-4:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH3)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH3){1|N<3>,2|N<4>}	H(N[6]C[6]2)	119.6550	1.105	2	119.6550	1.220	2	119.6550	1.220	2	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.4940	0.000	1	118.4940	0.000	1	118.4399	0.166	11	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(PO3)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(PO3){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.7775	0.057	2	117.7775	0.003	2	118.4399	0.166	11	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.6595	0.135	2	118.5987	0.082	8	118.4399	0.166	11	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|C<3>,1|H<1>,1|P<4>}	H(N[6]C[6]2)	118.8670	0.000	1	118.5987	0.082	8	118.4399	0.166	11	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.5265	0.384	4	118.5987	0.082	8	118.4399	0.166	11	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.4980	0.000	1	118.5987	0.082	8	118.4399	0.166	11	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-4:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(SO3)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(SO3){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.0380	0.000	2	118.0380	0.000	2	118.0380	0.000	2	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Si-4:	N[6]-3:	N[6](C[6]C[6]Ir)(C[6]C[6]Si)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SiC3)	H(N[6]C[6]2)	N[6](C[6]C[6]Ir)(C[6]C[6]Si)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SiC3){1|Ir<6>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	115.4840	0.000	1	115.4840	0.000	1	116.1210	13.024	3	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Si-4:	N[6]-3:	N[6](C[6]C[6]Si)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SiCCO)	H(N[6]C[6]2)	N[6](C[6]C[6]Si)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SiCCO){1|Si<4>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	116.4395	5.044	2	116.4395	25.440	2	116.1210	13.024	3	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)2(CCCH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(CCCH){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	119.1120	0.033	2	119.1120	0.001	2	118.8297	1.844	6	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)2(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	117.1830	0.000	1	117.1830	0.000	1	118.8297	1.844	6	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)2(CCCH)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(CCCH){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	119.9120	1.683	2	119.9120	2.832	2	118.8297	1.844	6	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)2(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]2)	117.7470	0.000	1	117.7470	0.000	1	118.8297	1.844	6	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-4:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NH3)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(NH3){1|C<3>,2|N<4>}	H(N[6]C[6]2)	119.6025	1.141	2	119.6025	1.301	2	119.6025	1.301	2	118.3823	3.819	1092	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:H-1:	N[6]-3:	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){3|C<4>,4|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>}	H(N[6]C[5,6]C[6])	120.2200	0.000	1	120.2200	0.000	1	120.2200	0.000	1	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(H)	C[6](N[6]C[5a,6]H)(C[6]O[6]HH)(O)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](N[6]C[5a,6]H)(C[6]O[6]HH)(O){2|C<3>}	H(N[6]C[5a,6]C[6])	120.3880	0.000	1	120.3880	0.000	1	118.6920	3.673	11	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]CH)(O)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]CH)(O){1|H<1>,1|N<3>,2|C<3>}	H(N[6]C[5a,6]C[6])	118.8340	1.806	2	118.8340	3.261	2	118.6920	3.673	11	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(N[6]C[5a,6]C[6])	119.5190	0.000	1	117.2240	2.531	5	118.6920	3.673	11	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>}	H(N[6]C[5a,6]C[6])	116.6502	1.086	4	117.2240	2.531	5	118.6920	3.673	11	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]HN)(O)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]HN)(O){1|H<1>,1|N<3>,2|C<3>}	H(N[6]C[5a,6]C[6])	120.7040	0.000	1	120.7040	0.000	1	118.6920	3.673	11	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]CC)(O)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|N<2>}	C[6](N[6]C[5a,6]H)(C[6]C[6]CC)(O){1|N<2>,1|N<3>,1|O<1>}	H(N[6]C[5a,6]C[6])	120.4040	0.000	1	120.4040	0.000	1	118.6920	3.673	11	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[5a,6]C[6])	120.3280	0.000	1	120.3280	0.000	1	118.6920	3.673	11	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]CH)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6,6]C[6])	117.0770	0.000	1	117.0770	0.000	1	116.0373	2.461	3	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,4|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6,6]C[6])	116.8020	0.000	1	115.5175	3.300	2	116.0373	2.461	3	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|H<1>,4|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6,6]C[6])	114.2330	0.000	1	115.5175	3.300	2	116.0373	2.461	3	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]CO)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|O<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]CO)(O){1|O<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	116.9830	0.000	1	116.9830	0.000	1	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	112.9880	0.000	1	117.2562	3.601	21	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>}	H(N[6]C[6,6a]C[6])	115.3500	0.000	1	117.2562	3.601	21	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>}	H(N[6]C[6,6a]C[6])	118.3560	0.000	1	117.2562	3.601	21	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.6036	1.692	16	117.2562	3.601	21	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	115.6050	0.000	1	117.2562	3.601	21	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>}	H(N[6]C[6,6a]C[6])	118.4250	0.000	1	117.2562	3.601	21	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O){1|C<4>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.0970	0.000	1	118.9495	1.454	2	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	119.8020	0.000	1	118.9495	1.454	2	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(O){3|C<3>}	H(N[6]C[6,6a]C[6])	116.9540	0.204	2	116.9540	0.041	2	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HO)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]N[6]HO)(O){1|C<4>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.9050	0.000	1	118.9050	0.000	1	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|O<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O){2|C<3>}	H(N[6]C[6,6a]C[6])	119.1120	0.000	1	118.9187	0.114	3	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O){2|C<3>}	H(N[6]C[6,6a]C[6])	118.8220	0.414	2	118.9187	0.114	3	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]CO)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|O<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]O[6]CO)(O){2|C<3>}	H(N[6]C[6,6a]C[6])	120.6460	0.000	1	120.6460	0.000	1	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]HH)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]O[6]HH)(O){2|C<3>}	H(N[6]C[6,6a]C[6])	118.8320	0.000	1	118.8320	0.000	1	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O){2|C<3>}	H(N[6]C[6,6a]C[6])	116.8300	0.397	2	116.6103	0.224	3	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|S<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O){2|C<3>}	H(N[6]C[6,6a]C[6])	116.1710	0.000	1	116.6103	0.224	3	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]FF)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|S<2>,2|C<3>,2|F<1>}	C[6](N[6]C[6,6a]H)(C[6]S[6]FF)(O){2|C<3>}	H(N[6]C[6,6a]C[6])	115.5910	0.000	1	115.5910	0.000	1	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){2|C<3>,2|H<1>,2|S<2>}	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(O){2|C<3>}	H(N[6]C[6,6a]C[6])	117.7040	0.549	2	117.7040	0.301	2	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	117.7050	0.000	1	117.7050	0.000	1	117.5601	2.803	39	117.7554	3.287	54	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:4:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(CC[5a]C)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|S<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(CC[5a]C){2|C<3>}	H(N[6]C[6,6a]C[6])	116.5640	0.000	1	116.5640	0.000	1	116.5640	0.000	1	116.5640	0.000	1	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:2:3:	3:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-2:N[6]-3:	N[6]-3:	N[6](C[6]C[5]N[6])(C[6]C[6,6a]S)(H)	C[6](C[5]C[5]2Fe)(N[6]C[6,6a])(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5]N[6])(C[6]C[6,6a]S)(H){1|Fe<10>,2|C<3>,2|C<4>}	C[6](C[5]C[5]2Fe)(N[6]C[6,6a])(N[6]C[6]H){1|S<1>,2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6]2)	116.9640	0.000	1	116.9640	0.000	1	116.9640	0.000	1	116.9640	0.000	1	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]H)(O){2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6]C[6])	119.4960	0.000	1	119.4960	0.000	1	119.4960	0.000	1	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[4,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H)	C[6](C[4,6]C[4,5]C[4,6]O)(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[4,6]C[4,5]C[4,6]O)(N[6]C[6,6a]H)(O){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	117.1030	0.000	1	117.1030	0.000	1	116.3375	1.172	2	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[4,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	115.5720	0.000	1	115.5720	0.000	1	116.3375	1.172	2	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5,5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	116.7212	1.047	4	116.7950	0.850	5	116.7950	0.850	5	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5,5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.0900	0.000	1	116.7950	0.850	5	116.7950	0.850	5	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|H<1>,3|C<4>}	H(N[6]C[6,6a]C[6])	117.1920	0.341	2	117.1920	0.116	2	116.9985	0.403	19	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O){2|C<3>,2|H<1>,3|C<4>}	H(N[6]C[6,6a]C[6])	117.0713	0.583	4	117.1335	0.215	6	116.9985	0.403	19	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O){2|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	117.2580	0.089	2	117.1335	0.215	6	116.9985	0.403	19	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.4390	0.059	2	116.7395	0.695	8	116.9985	0.403	19	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){1|N<3>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.0780	0.000	1	116.7395	0.695	8	116.9985	0.403	19	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]C[6])	116.3920	0.889	5	116.7395	0.695	8	116.9985	0.403	19	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6,6a]H)(O){1|H<1>,2|C<3>,2|C<4>}	H(N[6]C[6,6a]C[6])	116.9190	0.000	1	116.9190	0.000	1	116.9985	0.403	19	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[6,6a]H)(O){1|C<4>,1|N<2>,3|C<3>}	H(N[6]C[6,6a]C[6])	117.4760	0.148	2	117.4760	0.022	2	116.9985	0.403	19	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]H)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.6507	0.212	3	117.6507	0.045	3	117.6507	0.045	3	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>}	H(N[6]C[6,6a]C[6])	118.0620	0.000	1	118.0620	0.000	1	118.2582	0.604	5	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6a]H)(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6a]H)(O){1|C<4>,4|C<3>}	H(N[6]C[6,6a]C[6])	118.3073	0.889	4	118.3073	0.790	4	118.2582	0.604	5	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H)	C[6](C[4,6]C[4,6]2C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H){1|H<1>,3|C<4>}	C[6](C[4,6]C[4,6]2C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(N[6]C[6]2)	116.3475	0.006	2	116.3475	0.000	2	116.9772	0.690	4	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H)	C[6](C[4,6]C[4,6]C[4]F)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H){1|F<1>,1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]F)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(N[6]C[6]2)	117.6070	0.694	2	117.6070	0.482	2	116.9772	0.690	4	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,5,6]O)(C[6]C[6]C)(H)	C[6](C[5,5,6]C[5,5]N[5,6]O[5])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,5,6]O)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,5,6]C[5,5]N[5,6]O[5])(N[6]C[6]H)(O){1|H<1>,2|C<3>,4|C<4>}	H(N[6]C[6]2)	117.3950	0.000	1	117.3950	0.000	1	117.3950	0.000	1	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,2|H<1>,3|C<4>}	H(N[6]C[6]2)	115.5030	1.055	2	115.5030	1.113	2	116.7963	0.618	18	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6]H)(O){3|H<1>,4|C<3>}	H(N[6]C[6]2)	116.4820	0.543	2	116.4820	0.295	2	116.7963	0.618	18	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	H(N[6]C[6]2)	117.4730	0.632	4	117.3227	0.312	6	116.7963	0.618	18	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|O<1>}	H(N[6]C[6]2)	117.0220	0.300	2	117.3227	0.312	6	116.7963	0.618	18	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|N<3>,2|O<1>,3|C<3>}	H(N[6]C[6]2)	116.6235	0.265	4	116.5796	0.062	5	116.7963	0.618	18	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	H(N[6]C[6]2)	116.4040	0.000	1	116.5796	0.062	5	116.7963	0.618	18	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)2(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)2(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(N[6]C[6]2)	118.1460	0.000	1	118.1460	0.000	1	116.7963	0.618	18	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)2(H)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)2(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]H)(O){1|O<1>,2|C<4>,3|H<1>}	H(N[6]C[6]2)	116.7160	0.000	1	116.7160	0.000	1	116.7963	0.618	18	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H){1|Fe<10>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]H)(O){1|H<1>,2|C<3>,2|C<4>}	H(N[6]C[6]2)	116.6680	0.000	1	116.6680	0.000	1	116.7963	0.618	18	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]H)(O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(N[6]C[6]2)	114.8630	0.000	1	114.8630	0.000	1	116.6817	1.041	30	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H){2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]H)(O){1|O<1>,4|C<3>,4|H<1>}	H(N[6]C[6]2)	115.9145	1.210	2	115.9145	1.464	2	116.6817	1.041	30	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H){2|C<3>,2|C<4>}	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	H(N[6]C[6]2)	118.0985	1.637	2	118.0985	2.680	2	116.6817	1.041	30	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|N<3>}	H(N[6]C[6]2)	117.0890	0.000	1	117.0890	0.000	1	116.6817	1.041	30	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|N<3>,2|O<1>,3|H<1>}	H(N[6]C[6]2)	117.3170	0.000	1	117.3170	0.000	1	116.6817	1.041	30	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	H(N[6]C[6]2)	116.6585	0.465	2	116.2848	0.466	4	116.6817	1.041	30	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>,2|N<3>,2|O<1>}	H(N[6]C[6]2)	115.9110	0.789	2	116.2848	0.466	4	116.6817	1.041	30	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)2(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>,3|C<4>}	H(N[6]C[6]2)	116.8730	0.000	1	116.8730	0.000	1	116.6817	1.041	30	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)2(H){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O){1|O<1>,2|C<4>,4|H<1>}	H(N[6]C[6]2)	116.0080	0.997	2	116.0080	0.994	2	116.6817	1.041	30	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)2(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	H(N[6]C[6]2)	116.8950	1.504	4	116.8205	0.846	16	116.6817	1.041	30	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)2(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(N[6]C[6]2)	116.4040	0.751	4	116.8205	0.846	16	116.6817	1.041	30	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)2(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>,3|C<4>}	H(N[6]C[6]2)	117.0075	0.039	2	116.8205	0.846	16	116.6817	1.041	30	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)2(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|O<1>,2|C<4>,4|H<1>}	H(N[6]C[6]2)	116.9862	0.808	6	116.8205	0.846	16	116.6817	1.041	30	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HW)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HW)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.8550	0.000	1	118.8550	0.000	1	119.4140	0.625	2	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6]Ni)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)2(H){1|Ni<5>,1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6]Ni)(N[6]C[6]H)(H){2|H<1>,3|C<3>}	H(N[6]C[6]2)	119.9730	0.000	1	119.9730	0.000	1	119.4140	0.625	2	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|O<1>}	H(N[6]C[6]2)	116.4075	0.062	2	116.4075	0.004	2	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6]N[6,6]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6,6]CH)(N[6]C[6]H)(O){1|C<3>,2|C<4>}	H(N[6]C[6]2)	118.0130	0.000	1	118.0130	0.000	1	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]N)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(O){1|H<1>,1|N<2>,2|C<4>}	H(N[6]C[6]2)	116.6760	0.000	1	116.6760	0.000	1	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(N[6]C[6]2)	117.0460	0.000	1	117.0460	0.000	1	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]H)(O){3|C<3>}	H(N[6]C[6]2)	118.1450	0.000	1	118.1450	0.000	1	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){3|C<3>}	H(N[6]C[6]2)	119.2430	0.000	1	119.2430	0.000	1	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2)	116.1520	0.000	1	116.1520	0.000	1	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(O){1|C<3>,3|C<4>}	H(N[6]C[6]2)	117.9140	0.000	1	117.9140	0.000	1	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.7280	0.140	5	117.8647	0.185	7	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.7990	0.000	1	117.8647	0.185	7	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	H(N[6]C[6]2)	117.6140	0.000	1	117.8647	0.185	7	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.1345	0.052	2	117.1345	0.003	2	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){3|C<3>}	H(N[6]C[6]2)	117.7810	0.669	2	117.7810	0.447	2	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|H<1>,2|C<3>}	H(N[6]C[6]2)	116.1470	0.000	1	116.1470	0.000	1	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|S<2>,2|H<1>}	H(N[6]C[6]2)	114.9955	0.510	2	114.9955	0.260	2	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	117.7690	7.297	2	119.4606	19.216	5	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	120.5883	2.653	3	119.4606	19.216	5	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(N[6]C[6]2)	116.7670	0.000	1	116.7670	0.000	1	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]2C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	H(N[6]C[6]2)	117.5495	1.224	6	117.5520	1.249	7	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]2C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6]2C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	H(N[6]C[6]2)	117.5670	0.000	1	117.5520	1.249	7	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]Br2)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br2)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	116.8011	2.544	10	116.8011	6.470	10	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	117.2363	2.015	53	117.1242	2.961	76	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	116.7430	0.199	2	117.1242	2.961	76	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	H(N[6]C[6]2)	117.5050	0.000	1	117.1242	2.961	76	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	117.5140	0.000	1	117.1242	2.961	76	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Co<4>,1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	116.8470	0.000	1	117.1242	2.961	76	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Cu<4>,1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	117.1580	0.000	1	117.1242	2.961	76	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	117.0290	0.233	3	117.1242	2.961	76	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Ni<5>,1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	117.0430	0.030	2	117.1242	2.961	76	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Ni<6>,1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	116.8640	0.023	2	117.1242	2.961	76	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|O<2>}	H(N[6]C[6]2)	116.7900	0.000	1	117.1242	2.961	76	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	117.0010	0.249	4	117.1242	2.961	76	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	116.7055	0.049	2	117.1242	2.961	76	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Zn<5>,1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	117.0465	0.006	2	117.1242	2.961	76	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	114.2090	0.000	1	117.1242	2.961	76	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CO)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	116.1515	0.947	2	115.8427	0.744	4	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CO)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	115.5340	0.977	2	115.8427	0.744	4	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	117.5097	1.480	16	117.4872	2.061	17	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(N[6]C[6]2)	117.1260	0.000	1	117.4872	2.061	17	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]DyN)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Dy<21>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]DyN)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|O<2>}	H(N[6]C[6]2)	116.9363	0.290	3	116.9363	0.084	3	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	116.9779	1.356	66	116.9848	1.746	70	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<4>,1|W<6>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]2)	116.4710	0.000	1	116.9848	1.746	70	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(N[6]C[6]2)	117.4480	0.478	2	116.9848	1.746	70	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|N<3>}	H(N[6]C[6]2)	117.0270	0.000	1	116.9848	1.746	70	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]HN)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	116.3635	4.987	2	116.3635	24.872	2	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<4>,2|O<1>}	H(N[6]C[6]2)	117.6315	0.814	6	117.6774	0.567	7	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O){1|N<2>,2|C<4>,2|O<1>}	H(N[6]C[6]2)	117.9530	0.000	1	117.6774	0.567	7	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]OO)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]OO)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(N[6]C[6]2)	117.5473	2.089	4	117.5473	4.364	4	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	H(N[6]C[6]2)	117.8414	1.698	20	117.7245	3.027	21	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	H(N[6]C[6]2)	115.3880	0.000	1	117.7245	3.027	21	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]O)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	H(N[6]C[6]2)	117.4630	2.674	4	117.4630	7.150	4	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>}	H(N[6]C[6]2)	116.2653	1.353	4	116.2653	1.830	4	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(N[6]C[6]2)	118.0355	1.404	4	118.0355	1.970	4	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6]H)(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	H(N[6]C[6]2)	118.1400	0.000	1	118.1400	0.000	1	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	H(N[6]C[6]2)	116.1700	0.000	1	116.1700	0.000	1	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]S[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]S[6]C)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|S<2>,2|H<1>}	H(N[6]C[6]2)	109.4340	1.433	2	109.4340	2.052	2	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(C[6]S[6]N)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|N<2>,1|S<2>,2|H<1>}	H(N[6]C[6]2)	115.7530	0.000	1	115.7530	0.000	1	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O){1|O<1>,3|C<4>}	H(N[6]C[6]2)	116.9125	1.884	2	116.9125	3.551	2	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	H(N[6]C[6]2)	115.1640	0.000	1	116.5055	2.078	37	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|C<4>,1|F<1>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	H(N[6]C[6]2)	116.1500	0.839	4	116.5055	2.078	37	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|O<1>,2|H<1>}	H(N[6]C[6]2)	116.1805	0.071	2	116.5055	2.078	37	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	H(N[6]C[6]2)	116.3323	0.475	11	116.5055	2.078	37	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	H(N[6]C[6]2)	116.7155	2.204	14	116.5055	2.078	37	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	H(N[6]C[6]2)	116.6610	0.000	1	116.5055	2.078	37	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|O<1>,3|C<4>}	H(N[6]C[6]2)	117.0618	0.921	4	116.5055	2.078	37	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	H(N[6]C[6]2)	116.4000	0.000	1	116.4000	0.000	1	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]N[5]F)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|C<4>,1|F<1>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5]F)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	115.9650	1.096	4	115.9650	1.202	4	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	116.4920	0.000	1	116.6830	0.203	12	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[6]C[6]2)	116.6515	0.388	4	116.6830	0.203	12	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	116.7283	0.537	7	116.6830	0.203	12	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	116.7220	0.000	1	116.7220	0.000	1	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]O)2(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|O<1>,2|C<4>}	H(N[6]C[6]2)	117.1945	2.307	2	117.1945	5.324	2	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	H(N[6]C[6]2)	112.3450	0.000	1	112.3450	0.000	1	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]CN)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CN)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	H(N[6]C[6]2)	117.0130	0.000	1	117.0130	0.000	1	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	H(N[6]C[6]2)	118.4620	0.000	1	118.4620	0.000	1	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]N)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6a]C[6]N)(N[6]C[6]H)(O){1|H<1>,5|C<3>}	H(N[6]C[6]2)	113.4250	0.000	1	113.4250	0.000	1	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(H)	C[6](C[6]O[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]H)(O){1|C<3>,1|N<2>}	H(N[6]C[6]2)	118.3000	0.000	1	118.3000	0.000	1	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]N[5,6]S)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]N[5,6]S)(C[6]C[6]O)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(N[6]C[6]2)	116.8720	0.373	2	116.8720	0.139	2	117.0212	3.048	333	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]S)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]S)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,2|C<3>,2|O<1>}	H(N[6]C[6]2)	121.9200	0.000	1	121.9200	0.000	1	118.5173	8.853	3	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]S)(C[6]N[6]S)(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]S)(C[6]N[6]S)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	H(N[6]C[6]2)	116.4050	0.000	1	116.8160	0.338	2	118.5173	8.853	3	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]S)(C[6]N[6]S)(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]S)(C[6]N[6]S)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,2|C<3>,2|S<1>}	H(N[6]C[6]2)	117.2270	0.000	1	116.8160	0.338	2	118.5173	8.853	3	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	H(N[6]C[6]N[6])	N[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(N[6]C[6]N[6])	122.3700	0.000	1	122.3700	0.000	1	120.6445	5.955	2	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6]C)(H)	C[6](C[6]N[6]CH)(N[6]N[6]H)(O)	H(N[6]C[6]N[6])	N[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]N[6]H)(O){1|C<3>,2|C<4>}	H(N[6]C[6]N[6])	118.9190	0.000	1	118.9190	0.000	1	120.6445	5.955	2	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](N[6]C[5a,6]C)(C[6]C[6]O)(H)	C[6](C[6]N[5a,6]HH)(N[6]N[6]H)(O)	H(N[6]C[6]N[6])	N[6](N[6]C[5a,6]C)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|N<2>}	H(N[6]C[6]N[6])	116.7140	0.000	1	116.7140	0.000	1	112.3830	37.515	2	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](N[6]C[6]Co)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	H(N[6]C[6]N[6])	N[6](N[6]C[6]Co)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|Co<6>,1|C<3>,2|H<1>}	H(N[6]C[6]N[6])	108.0520	0.000	1	108.0520	0.000	1	112.3830	37.515	2	117.0231	2.888	430	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6,6]N)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(NC[6a])	H(N[6]C[6]2)	N[6](C[6]C[6,6]N)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(NC[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(N[6]C[6]2)	116.7280	0.000	1	116.7280	0.000	1	116.7280	0.000	1	116.9988	0.349	9	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]H)(NC[6a])	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]H)(NC[6a]){1|O<1>,4|C<3>}	H(N[6]C[6]2)	117.4350	0.000	1	117.4350	0.000	1	116.8143	0.201	6	116.9988	0.349	9	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(NS)	H(N[6]C[6]2)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(NS){1|H<1>,1|N<3>,1|O<1>,1|P<4>}	H(N[6]C[6]2)	116.3260	0.000	1	116.3260	0.000	1	116.8143	0.201	6	116.9988	0.349	9	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(NO)	H(N[6]C[6]2)	N[6](C[6]C[6]N)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(NO){1|C<4>,1|N<2>,2|H<1>}	H(N[6]C[6]2)	116.7812	0.355	4	116.7812	0.126	4	116.8143	0.201	6	116.9988	0.349	9	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]O)(C[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(SCu)	H(N[6]C[6]2)	N[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(SCu){1|C<4>,1|O<1>,2|H<1>}	H(N[6]C[6]2)	117.6875	0.746	2	117.6875	0.557	2	117.6875	0.557	2	116.9988	0.349	9	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH){1|C<4>,4|C<3>}	H(N[6]C[6,6a]C[6])	116.3360	0.000	1	116.0047	0.069	6	116.0047	0.069	6	117.3448	3.458	20	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH){5|C<3>}	H(N[6]C[6,6a]C[6])	115.9384	0.231	5	116.0047	0.069	6	116.0047	0.069	6	117.3448	3.458	20	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:H-1:	B-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]B)2(H)	C[6](BC[6a]N[5]2)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]B)2(H){1|C<3>,2|H<1>}	C[6](BC[6a]N[5]2)(C[6]C[6]H)(N[6]C[6]H){1|B<4>,1|C<3>,1|H<1>}	H(N[6]C[6]2)	116.2000	1.162	2	116.2000	1.351	2	116.2000	1.351	2	117.3448	3.458	20	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:H-1:	C-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.4910	0.000	1	118.4910	0.000	1	118.4910	0.000	1	117.3448	3.458	20	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[4]-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(N[6]C[6]2)	115.7287	2.520	3	115.7287	6.351	3	115.7287	6.351	3	117.3448	3.458	20	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CCH)	H(N[6]C[6]2)	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(N[6]C[6]2)	120.3000	0.000	1	120.3000	0.000	1	119.5760	1.048	2	117.3448	3.458	20	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CHH)	H(N[6]C[6]2)	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(N[6]C[6]2)	118.8520	0.000	1	118.8520	0.000	1	119.5760	1.048	2	117.3448	3.458	20	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]N[5]S[5]H)(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[5]N[5]S[5]H)(C[6]C[6]C)(N[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	H(N[6]C[6]2)	118.8640	0.000	1	118.8640	0.000	1	119.2125	0.243	2	117.3448	3.458	20	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	H(N[6]C[6]2)	119.5610	0.000	1	119.5610	0.000	1	119.2125	0.243	2	117.3448	3.458	20	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](PC[6a]2Pt)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](PC[6a]2Pt)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.1400	0.000	1	118.1400	0.000	1	118.8035	0.673	4	117.3448	3.458	20	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Fe)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](PC[6a]2Fe)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	119.9990	0.000	1	119.9990	0.000	1	118.8035	0.673	4	117.3448	3.458	20	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Pd)(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](PC[6a]2Pd)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.5375	0.086	2	118.5375	0.007	2	118.8035	0.673	4	117.3448	3.458	20	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	5:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[3x3,3x5,12x6]-5:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H)	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H){1|B<5>,1|C<3>,4|B<6>,6|H<1>}	H(N[6]C[6]2)	120.7240	0.000	1	120.7240	0.000	1	120.7240	0.000	1	120.7240	0.000	1	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[5,6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	119.7960	0.000	1	119.7960	0.000	1	119.7960	0.000	1	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	117.9325	3.219	2	117.9325	10.365	2	117.7233	3.353	8	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H){1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O){3|C<3>,3|H<1>}	H(N[6]C[6]2)	119.4740	0.000	1	119.4740	0.000	1	117.7233	3.353	8	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	117.2894	1.501	5	117.2894	2.253	5	117.7233	3.353	8	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(N[6]C[6]2)	121.3090	0.000	1	121.3090	0.000	1	121.3090	0.000	1	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(N[6]C[6]2)	120.1950	0.000	1	120.1950	0.000	1	120.1950	0.000	1	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	H(N[6]C[6]2)	116.2770	0.000	1	116.2770	0.000	1	116.6575	5.599	28	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6]2)	117.8990	0.000	1	117.3245	1.607	10	116.6575	5.599	28	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	118.1725	1.333	2	117.3245	1.607	10	116.6575	5.599	28	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6]2)	116.9868	1.809	4	117.3245	1.607	10	116.6575	5.599	28	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	117.0180	0.429	3	117.3245	1.607	10	116.6575	5.599	28	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6]2)	116.7370	0.000	1	117.0920	0.252	2	116.6575	5.599	28	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6]2)	117.4470	0.000	1	117.0920	0.252	2	116.6575	5.599	28	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H){2|C<3>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	118.5365	0.097	2	118.5365	0.009	2	116.6575	5.599	28	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(N[6]C[6]2)	115.0019	3.478	8	115.6007	11.001	10	116.6575	5.599	28	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>,2|N<2>}	H(N[6]C[6]2)	117.9960	0.000	2	115.6007	11.001	10	116.6575	5.599	28	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	117.4750	0.000	1	118.0440	0.648	2	116.6575	5.599	28	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	118.6130	0.000	1	118.0440	0.648	2	116.6575	5.599	28	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(N[6]C[6]2)	113.5370	0.000	1	113.5370	0.000	1	116.6575	5.599	28	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	N[5a,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	118.2930	0.000	1	118.2930	0.000	1	118.2930	0.000	1	117.1947	5.612	40	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:2:	3:	C[6]-3:B[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])(B[6]N[6]FF)(H)	C[6](C[6a]C[6a]N[6a])(N[6]B[6]H)(N[6]C[6])	H(N[6]B[6]C[6])	N[6](C[6]C[6a]N[6])(B[6]N[6]FF)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]B[6]H)(N[6]C[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	H(N[6]B[6]C[6])	112.8300	0.769	2	112.8300	0.592	2	112.8300	0.592	2	116.7852	15.911	5	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:2:	3:	C[6]-3:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6])	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)(H){2|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6]){2|C<3>,2|H<1>,3|C<4>}	H(N[6]C[6]2)	117.0760	0.000	1	117.0760	0.000	1	119.4220	5.453	3	116.7852	15.911	5	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:2:	3:	C[6]-3:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|C<4>,2|C<3>,6|H<1>}	H(N[6]C[6]2)	121.7460	0.000	1	121.7460	0.000	1	119.4220	5.453	3	116.7852	15.911	5	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:2:	3:	C[6]-3:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6])	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){2|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6]){1|C<4>,2|C<3>,4|H<1>}	H(N[6]C[6]2)	119.4440	0.000	1	119.4440	0.000	1	119.4220	5.453	3	116.7852	15.911	5	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:B[6]-4:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(B[6]N[6,6]CC)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H)	H(N[6]B[6]C[6])	N[6](C[6]C[6a]C[6])(B[6]N[6,6]CC)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(N[6]B[6]C[6])	115.2420	0.000	1	115.2420	0.000	1	115.2420	0.000	1	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:B[6]-4:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]B[6]H)	H(N[6]B[6]C[6])	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]B[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	H(N[6]B[6]C[6])	117.9590	0.283	2	117.9590	0.080	2	117.8440	1.209	4	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:B[6]-4:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]B[6]H)	H(N[6]B[6]C[6])	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]B[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	H(N[6]B[6]C[6])	117.7290	1.870	2	117.7290	3.495	2	117.8440	1.209	4	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[5]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5]N[6])(C[6]C[6]CC)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]H)2	H(N[6]C[6]2)	N[6](C[6]C[5]N[6])(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|C<4>,3|H<1>}	H(N[6]C[6]2)	118.4930	0.000	1	118.3785	0.480	4	118.5450	0.313	8	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[5]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5]N[6])(C[6]C[6]CC)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]H)2	H(N[6]C[6]2)	N[6](C[6]C[5]N[6])(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]H)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	H(N[6]C[6]2)	118.3403	0.843	3	118.3785	0.480	4	118.5450	0.313	8	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[5]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5]N[6])(C[6]C[6]HH)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]H)2	H(N[6]C[6]2)	N[6](C[6]C[5]N[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|C<4>,3|H<1>}	H(N[6]C[6]2)	118.5240	0.000	1	118.7115	0.177	4	118.5450	0.313	8	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[5]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5]N[6])(C[6]C[6]HH)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]H)2	H(N[6]C[6]2)	N[6](C[6]C[5]N[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]H)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	H(N[6]C[6]2)	118.7740	0.493	3	118.7115	0.177	4	118.5450	0.313	8	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[5a,6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[5a,6]C)(C[6]N[6]CC)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CNO)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]C)(C[6]N[6]CC)(H){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CNO){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	H(N[6]C[6]2)	118.5340	0.000	1	118.5340	0.000	1	118.5340	0.000	1	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[5a,6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[5a,6]N)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]N)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	123.2550	0.000	1	123.2550	0.000	1	123.2550	0.000	1	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[6,6]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6a]C[6a]2)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6,6]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6a]C[6a]2)(N[6]C[6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6]2)	112.2500	0.000	1	112.2500	0.000	1	112.2500	0.000	1	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCH)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCH){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6]2)	114.1120	0.000	1	114.1120	0.000	1	114.1120	0.000	1	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6,6a]N)(C[6]C[6]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]N)(C[6]C[6]CC)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|H<1>,2|C<3>,3|C<4>}	H(N[6]C[6]2)	120.6585	1.240	2	120.6585	1.537	2	120.2397	4.014	6	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6,6a]N)(C[6]C[6]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NC[6a]H)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]N)(C[6]C[6]CC)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NC[6a]H){1|H<1>,2|C<3>,3|C<4>}	H(N[6]C[6]2)	118.6150	0.918	2	118.6150	0.842	2	120.2397	4.014	6	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6,6a]N)(C[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]N)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	119.3060	0.000	1	119.3060	0.000	1	120.2397	4.014	6	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6]2)	123.5850	0.000	1	123.5850	0.000	1	120.2397	4.014	6	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]2)(N[6]C[6]H)2	H(N[6]C[6]2)	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(N[6]C[6]2)	116.3005	5.817	2	117.3798	12.919	4	117.3798	12.919	4	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]2)(N[6]C[6]H)2	H(N[6]C[6]2)	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|C<4>,2|C<3>,6|H<1>}	H(N[6]C[6]2)	118.4590	0.506	2	117.3798	12.919	4	117.3798	12.919	4	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(N[6]C[6]2)	119.9590	0.000	1	119.9590	0.000	1	119.9590	0.000	1	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	H(N[6]C[6]2)	118.5147	0.188	3	118.5147	0.036	3	118.7146	0.419	103	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|Co<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(N[6]C[6]2)	114.0220	0.000	1	114.0220	0.000	1	118.7146	0.419	103	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)2{1|C<4>,2|C<3>,6|H<1>}	H(N[6]C[6]2)	118.7744	0.541	37	118.7839	0.184	98	118.7146	0.419	103	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)2{1|C<4>,2|C<3>,6|H<1>}	H(N[6]C[6]2)	118.7605	0.365	33	118.7839	0.184	98	118.7146	0.419	103	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)2{1|C<4>,2|C<3>,6|H<1>}	H(N[6]C[6]2)	118.8240	0.333	28	118.7839	0.184	98	118.7146	0.419	103	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|Zn<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(N[6]C[6]2)	117.2200	0.000	1	117.2200	0.000	1	118.7146	0.419	103	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6]Fe)(C[6]N[6]2)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|Fe<6>,1|C<4>,2|H<1>,2|N<3>}	C[6](N[6]C[6]Fe)(C[6]N[6]2)(N[6]C[6]H){3|C<4>,5|H<1>}	H(N[6]C[6]2)	120.0005	0.675	6	120.0005	0.455	6	120.0005	0.455	6	118.6982	1.773	137	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:4:	3:	C[6]-3:C[6]-4:H-1:	C[5a,6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6]2)	118.1505	0.218	2	118.1505	0.048	2	118.1505	0.048	2	119.4303	4.938	3	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:4:	3:	C[6]-3:C[6]-4:H-1:	C[6,6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	H(N[6]C[6]2)	121.9900	0.000	1	121.9900	0.000	1	121.9900	0.000	1	119.4303	4.938	3	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[3,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]N)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]N)(N[6]C[6]H)(O){2|C<4>,4|H<1>}	H(N[6]C[6]2)	116.6210	0.281	2	116.6210	0.079	2	116.6210	0.079	2	117.0361	10.784	38	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[4,5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H)	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(N[6]C[6]H)(O){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	H(N[6]C[6]2)	118.3590	0.000	1	118.3590	0.000	1	118.3590	0.000	1	117.0361	10.784	38	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[4,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(H)	C[6](C[4,6]C[4,6]C[4]N[6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]N[6])(N[6]C[6]H)(O){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(N[6]C[6]2)	116.8840	0.000	1	116.8840	0.000	1	116.8840	0.000	1	117.0361	10.784	38	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	H(N[6]C[6]2)	113.2220	0.000	1	113.2220	0.000	1	117.0923	7.351	18	117.0361	10.784	38	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O){1|O<2>,2|H<1>,3|C<4>}	H(N[6]C[6]2)	113.8505	1.010	2	113.8505	1.021	2	117.0923	7.351	18	117.0361	10.784	38	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(N[6]C[6]2)	114.7240	0.000	1	117.6043	17.268	4	117.0923	7.351	18	117.0361	10.784	38	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O){1|C<4>,3|C<3>,6|H<1>}	H(N[6]C[6]2)	118.5643	4.513	3	117.6043	17.268	4	117.0923	7.351	18	117.0361	10.784	38	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	H(N[6]C[6]2)	118.2510	1.446	6	118.2510	2.091	6	117.0923	7.351	18	117.0361	10.784	38	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]N[5]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5]C)(N[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	H(N[6]C[6]2)	119.4820	0.000	1	119.4820	0.000	1	117.0923	7.351	18	117.0361	10.784	38	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]C[6]CO)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]C[6]CO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(N[6]C[6]2)	116.3680	0.000	1	116.3680	0.000	1	117.0923	7.351	18	117.0361	10.784	38	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(H)	C[6](C[5,6]C[5]N[6]S[5])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[5,6]C[5]N[6]S[5])(N[6]C[6]H)(O){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(N[6]C[6]2)	116.5900	0.000	1	116.5900	0.000	1	117.0923	7.351	18	117.0361	10.784	38	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O){1|O<2>,2|C<4>,3|H<1>}	H(N[6]C[6]2)	114.9420	0.000	1	114.9420	0.000	1	117.0923	7.351	18	117.0361	10.784	38	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	H(N[6]C[6]2)	119.4330	0.000	1	119.4330	0.000	1	117.0923	7.351	18	117.0361	10.784	38	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	H(N[6]C[6]2)	116.9333	5.060	11	116.9333	25.608	11	116.9517	18.110	16	117.0361	10.784	38	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){4|C<4>,4|H<1>}	H(N[6]C[6]2)	116.1460	0.000	1	116.1460	0.000	1	116.9517	18.110	16	117.0361	10.784	38	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(N[6]C[6]2)	120.4890	0.000	1	117.2037	4.890	4	116.9517	18.110	16	117.0361	10.784	38	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|C<3>,3|C<4>,7|H<1>}	H(N[6]C[6]2)	115.8970	0.096	2	117.2037	4.890	4	116.9517	18.110	16	117.0361	10.784	38	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){4|C<4>,7|H<1>}	H(N[6]C[6]2)	116.5320	0.000	1	117.2037	4.890	4	116.9517	18.110	16	117.0361	10.784	38	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C[6]-4:H-1:	C[5,5]-4:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5,5]N[6])(C[6]C[6]HH)(H)	C[6](C[5,5]C[5,5]C[5]O[5])(N[6]C[6]H)2	H(N[6]C[6]2)	N[6](C[6]C[5,5]N[6])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,5]C[5,5]C[5]O[5])(N[6]C[6]H)2{1|C<4>,1|O<2>,4|C<3>,6|H<1>}	H(N[6]C[6]2)	120.3955	3.815	2	120.3955	14.553	2	120.3955	14.553	2	120.3955	14.553	2	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	2:3:1:	3:	C[6]-4:C[6]-3:H-1:	O[6]-2:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H)	C[6](O[6]C[5,6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H){2|C<4>,3|C<3>}	C[6](O[6]C[5,6])(N[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6]2)	115.4680	0.000	1	115.4680	0.000	1	115.7659	1.702	9	115.7659	1.702	9	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	2:3:1:	3:	C[6]-4:C[6]-3:H-1:	O[6]-2:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)	C[6](O[6]C[5,6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H){3|C<4>}	C[6](O[6]C[5,6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2)	115.7950	0.000	1	115.8465	0.005	2	115.7659	1.702	9	115.7659	1.702	9	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	2:3:1:	3:	C[6]-4:C[6]-3:H-1:	O[6]-2:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)	C[6](O[6]C[5,6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H){3|C<4>}	C[6](O[6]C[5,6])(N[6]C[6]H)(O){2|C<4>,3|H<1>}	H(N[6]C[6]2)	115.8980	0.000	1	115.8465	0.005	2	115.7659	1.702	9	115.7659	1.702	9	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	2:3:1:	3:	C[6]-4:C[6]-3:H-1:	O[6]-2:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]C[5a]C)(C[6]O[6]O)(H)	C[6](O[6]C[6,6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]C[5a]C)(C[6]O[6]O)(H){1|N<3>,3|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]H)(O){4|C<3>}	H(N[6]C[6]2)	113.0690	0.000	1	113.0690	0.000	1	115.7659	1.702	9	115.7659	1.702	9	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	2:3:1:	3:	C[6]-4:C[6]-3:H-1:	O[6]-2:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)	C[6](O[6]C[6,6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H){4|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]H)(O){1|H<1>,3|C<3>}	H(N[6]C[6]2)	115.5810	1.447	2	115.5810	2.093	2	115.7659	1.702	9	115.7659	1.702	9	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	2:3:1:	3:	C[6]-4:C[6]-3:H-1:	O[6]-2:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](O[6]C[6,6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|S<2>}	C[6](O[6]C[6,6])(N[6]C[6]H)(O){1|H<1>,4|C<4>}	H(N[6]C[6]2)	116.5075	0.139	2	116.5075	0.019	2	115.7659	1.702	9	115.7659	1.702	9	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	2:3:1:	3:	C[6]-4:C[6]-3:H-1:	O[6]-2:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](O[6]C[5,6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	C[6](O[6]C[5,6])(N[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6]2)	117.4860	0.000	1	117.4860	0.000	1	115.7659	1.702	9	115.7659	1.702	9	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	2:3:2:	3:	C[6]-4:C[6]-3:H-1:	N[6]-2:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]S)(H)	C[6](N[6]C[6,6a])(N[6]C[6]H)(SC)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]S)(H){4|C<3>}	C[6](N[6]C[6,6a])(N[6]C[6]H)(SC){1|H<1>,1|N<3>,2|C<3>}	H(N[6]C[6]2)	120.9000	0.000	1	120.9000	0.000	1	120.9000	0.000	1	116.6258	6.661	6	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	2:3:2:	3:	C[6]-4:C[6]-3:H-1:	O[6]-2:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]O[6]N)(H)	C[6](O[6]C[6,6])(N[6]C[6]H)(NC[6a])	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]O[6]N)(H){1|C<4>,2|H<1>}	C[6](O[6]C[6,6])(N[6]C[6]H)(NC[6a]){2|H<1>,3|C<4>}	H(N[6]C[6]2)	117.2120	0.000	1	117.2120	0.000	1	117.2120	0.000	1	116.6258	6.661	6	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	2:3:2:	3:	C[6]-4:C[6]-3:H-1:	S[6]-2:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]S[6]N)(H)	C[6](S[6]C[6,6])(N[6]C[6]H)(NC)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	C[6](S[6]C[6,6])(N[6]C[6]H)(NC){2|H<1>,3|C<4>}	H(N[6]C[6]2)	113.8700	0.000	1	113.8700	0.000	1	115.4108	2.929	4	116.6258	6.661	6	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	2:3:2:	3:	C[6]-4:C[6]-3:H-1:	S[6]-2:N[6]-3:N-2:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]S[6]N)(H)	C[6](S[6]C[6,6])(N[6]C[6]H)(NC[6a])	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	C[6](S[6]C[6,6])(N[6]C[6]H)(NC[6a]){2|H<1>,3|C<4>}	H(N[6]C[6]2)	115.9243	1.677	3	115.9243	2.811	3	115.4108	2.929	4	116.6258	6.661	6	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	2:3:3:	3:	C[6]-4:C[6]-3:H-1:	N[6]-2:N[6]-3:N-3:	N[6]-3:	N[6](C[6]N[5a,6]CC)(C[6]N[6]N)(H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]N[5a,6]CC)(C[6]N[6]N)(H){1|C<3>,1|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|N<2>,1|N<3>,2|C<4>}	H(N[6]C[6]2)	118.1130	0.863	2	118.1130	0.744	2	118.1130	0.744	2	117.9527	0.449	3	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	2:3:3:	3:	C[6]-4:C[6]-3:H-1:	O[6]-2:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCC)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H){4|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCC){1|H<1>,3|C<3>}	H(N[6]C[6]2)	117.6320	0.000	1	117.6320	0.000	1	117.6320	0.000	1	117.9527	0.449	3	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	2:3:4:	3:	C[6]-4:C[6]-3:H-1:	N[6]-2:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a])(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(H){4|C<3>}	C[6](N[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,3|C<3>}	H(N[6]C[6]2)	117.9010	0.000	1	117.9010	0.000	1	117.9010	0.000	1	117.9010	0.000	1	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[3x6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[3x6]C[3x6]C[5,6]C[6])(C[6]O[6]O)(H)	C[6](N[6]C[3x6]H)(O[6]C[6])(O)	H(N[6]C[3x6]C[6])	N[6](C[3x6]C[3x6]C[5,6]C[6])(C[6]O[6]O)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](N[6]C[3x6]H)(O[6]C[6])(O){2|H<1>,3|C<4>}	H(N[6]C[3x6]C[6])	115.4800	0.000	1	115.4800	0.000	1	115.4800	0.000	1	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)	C[6](N[6]C[5,6]H)(O[6]C[6])(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(N[6]C[5,6]C[6])	116.9620	0.530	2	116.9620	0.281	2	114.5282	21.237	4	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(H)	C[6](N[6]C[5,6]H)(O[6]C[5,6])(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[5,6]H)(O[6]C[5,6])(O){1|N<3>,2|C<3>,2|C<4>}	H(N[6]C[5,6]C[6])	112.0945	6.304	2	112.0945	39.739	2	114.5282	21.237	4	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-2:S-1:	N[6]-3:	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H)	C[6](N[6]C[6,6]H)(N[6]C[6,6])(S)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6]H)(N[6]C[6,6])(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(N[6]C[6,6]C[6])	116.2770	0.000	1	116.2770	0.000	1	116.2770	0.000	1	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]O[6]O)(H)	C[6](N[6]C[6,6]H)(O[6]C[6,6])(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]O[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6]H)(O[6]C[6,6])(O){1|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6]C[6])	115.3800	0.000	1	115.3800	0.000	1	115.3800	0.000	1	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	116.5750	0.000	1	116.5750	0.000	1	116.5750	0.000	1	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-2:S-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6])(S)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<2>,1|C<4>,3|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	115.8490	0.000	1	115.5645	0.162	2	114.2940	4.559	4	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-2:S-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6])(S)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){4|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	115.2800	0.000	1	115.5645	0.162	2	114.2940	4.559	4	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-2:S-1:	N[6]-3:	N[6](C[6]S[6]CC)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6])(S)	H(N[6]C[6]2)	N[6](C[6]S[6]CC)(C[6]N[6]S)(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|N<3>,1|S<2>,2|C<4>}	H(N[6]C[6]2)	113.0235	2.657	2	113.0235	7.058	2	114.2940	4.559	4	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6]C[3x6]C[6]H)(C[6]O[6]O)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[3x6]C[6]H)(C[6]O[6]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[6]2)	114.0055	2.023	2	114.0055	4.093	2	114.5166	20.400	25	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]CC)(C[6]O[6]O)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CC)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,3|C<4>}	H(N[6]C[6]2)	110.5930	0.000	1	110.5930	0.000	1	114.5166	20.400	25	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	H(N[6]C[6]2)	113.9125	0.600	2	114.9582	5.080	8	114.5166	20.400	25	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|H<1>,3|C<4>}	H(N[6]C[6]2)	114.0850	0.000	1	114.9582	5.080	8	114.5166	20.400	25	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(N[6]C[6]2)	113.9930	0.000	1	114.9582	5.080	8	114.5166	20.400	25	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|H<1>,3|C<4>}	H(N[6]C[6]2)	120.1360	0.000	1	114.9582	5.080	8	114.5166	20.400	25	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|N<3>,2|C<4>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(N[6]C[6]2)	115.5730	0.000	1	114.9582	5.080	8	114.5166	20.400	25	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){3|C<4>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(N[6]C[6]2)	114.0270	1.547	2	114.9582	5.080	8	114.5166	20.400	25	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|I<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(N[6]C[6]2)	107.2100	3.355	2	111.4110	21.866	5	114.5166	20.400	25	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,2|F<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<4>,4|H<1>}	H(N[6]C[6]2)	110.9470	0.000	1	111.4110	21.866	5	114.5166	20.400	25	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|H<1>,3|C<4>}	H(N[6]C[6]2)	115.0080	0.000	1	111.4110	21.866	5	114.5166	20.400	25	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|H<1>,2|C<4>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(N[6]C[6]2)	116.6800	0.000	1	111.4110	21.866	5	114.5166	20.400	25	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]C)(C[6]O[6]O)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]C)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	113.1960	2.420	2	113.1960	5.855	2	114.5166	20.400	25	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2)	113.7530	0.000	1	117.3140	38.779	7	114.5166	20.400	25	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,3|C<4>}	H(N[6]C[6]2)	119.5115	7.650	4	117.3140	38.779	7	114.5166	20.400	25	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	114.6995	3.379	2	117.3140	38.779	7	114.5166	20.400	25	114.6464	15.988	37	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:2:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]N[6]N)(H){1|C<4>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<4>,4|H<1>}	H(N[6]C[6]2)	117.7160	0.000	1	117.7160	0.000	1	117.7160	0.000	1	116.9970	1.082	3	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:2:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-2:O-2:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(OC)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]N[6]O)(H){2|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(OC){1|C<3>,3|H<1>}	H(N[6]C[6]2)	117.4710	0.000	1	117.4710	0.000	1	117.4710	0.000	1	116.9970	1.082	3	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:2:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:S[6]-2:N-2:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]S[6]N)(H)	C[6](N[6]C[6]H)(S[6]C[6])(NC)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	C[6](N[6]C[6]H)(S[6]C[6])(NC){1|C<4>,4|H<1>}	H(N[6]C[6]2)	115.8040	0.000	1	115.8040	0.000	1	115.8040	0.000	1	116.9970	1.082	3	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:3:	3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:N[6]-2:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6])(H){4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6]2)	117.3770	0.000	1	117.3770	0.000	1	119.5717	3.629	3	120.1112	24.552	21	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:3:	3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:N[6]-2:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(H){4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]H){4|C<3>,4|H<1>}	H(N[6]C[6]2)	120.6690	0.180	2	120.6690	0.032	2	119.5717	3.629	3	120.1112	24.552	21	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:3:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H){4|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.8250	0.000	1	117.8250	0.000	1	122.9375	21.984	11	120.1112	24.552	21	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:3:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H){1|H<1>,3|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|H<1>,3|C<3>}	H(N[6]C[6]2)	116.1440	0.000	1	116.1440	0.000	1	122.9375	21.984	11	120.1112	24.552	21	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:3:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]N)(H){3|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[6]C[6]2)	126.3222	3.251	6	126.3222	10.567	6	122.9375	21.984	11	120.1112	24.552	21	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:3:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]N[6]CC)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]N[6]CC)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){2|C<4>,2|N<3>}	H(N[6]C[6]2)	120.2560	0.000	1	120.2560	0.000	1	122.9375	21.984	11	120.1112	24.552	21	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:3:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]N[6]CC)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NPtH)	H(N[6]C[6]2)	N[6](C[6]N[6]CC)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NPtH){2|C<4>,2|N<3>}	H(N[6]C[6]2)	121.1780	0.000	1	121.1780	0.000	1	122.9375	21.984	11	120.1112	24.552	21	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:3:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]N[6]CC)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]S[6])(NCC)	H(N[6]C[6]2)	N[6](C[6]N[6]CC)(C[6]N[6]N)(H){1|C<3>,1|S<4>}	C[6](N[6]C[6]H)(N[6]S[6])(NCC){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	H(N[6]C[6]2)	118.9760	0.000	1	118.9760	0.000	1	122.9375	21.984	11	120.1112	24.552	21	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:3:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:O[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(H)	C[6](N[6]C[6]H)(O[6]C[6])(NCH)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(H){1|H<1>,3|C<3>}	C[6](N[6]C[6]H)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	H(N[6]C[6]2)	118.2420	0.000	1	118.2420	0.000	1	118.2420	0.000	1	120.1112	24.552	21	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:3:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:S[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]S[6]N)(H)	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]H)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]H){1|C<4>,4|H<1>}	H(N[6]C[6]2)	117.3593	0.376	3	117.3593	0.141	3	115.5110	8.948	6	120.1112	24.552	21	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:3:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:S[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]S[6]N)(H)	C[6](N[6]C[6]H)(S[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]S[6]N)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6]H)(S[6]C[6])(NHH){1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	113.6627	3.461	3	113.6627	11.980	3	115.5110	8.948	6	120.1112	24.552	21	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:4:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-2:C-4:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]N[6]C)(H){1|C<2>,1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	117.6740	0.000	1	117.6740	0.000	1	120.7485	4.546	4	120.7485	4.546	4	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:4:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-2:C-4:	N[6]-3:	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)(N[6]C[6])(CClNN)	H(N[6]C[6]2)	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|C<4>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(CClNN){1|N<3>,4|H<1>}	H(N[6]C[6]2)	120.9720	0.000	1	120.9720	0.000	1	120.7485	4.546	4	120.7485	4.546	4	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:2:4:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-2:C-4:	N[6]-3:	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)(N[6]C[6])(CN3)	H(N[6]C[6]2)	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|C<4>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(CN3){1|N<3>,4|H<1>}	H(N[6]C[6]2)	122.1740	0.267	2	122.1740	0.071	2	120.7485	4.546	4	120.7485	4.546	4	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O)	H(N[6]C[3,6]C[6])	N[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[3,6]C[6])	117.0230	0.000	1	117.0230	0.000	1	115.7270	1.142	5	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O)	H(N[6]C[3,6]C[6])	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O){1|H<1>,2|C<4>,3|C<3>}	H(N[6]C[3,6]C[6])	115.4030	0.907	4	115.4030	0.823	4	115.7270	1.142	5	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[4,6]C[3,6]C[4]2)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(O)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[3,6]C[4]2)(C[6]C[6,6a]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(O){1|H<1>,2|C<3>,3|C<4>}	H(N[6]C[4,6]C[6])	117.8875	0.139	2	117.8875	0.019	2	117.8875	0.019	2	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[6]-3:	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(N[6]C[4,6]C[6])	118.0860	0.000	1	118.4480	0.878	3	118.4982	0.595	4	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[6]-3:	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(N[6]C[4,6]C[6])	118.6290	1.249	2	118.4480	0.878	3	118.4982	0.595	4	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[6]-3:	N[6](C[4,6]C[4]2S[6])(C[6]C[6]O)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]C)(O)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4]2S[6])(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[6]C[4,6]H)(C[6]C[6]C)(O){1|N<3>,1|S<2>,2|C<4>}	H(N[6]C[4,6]C[6])	118.6490	0.000	1	118.6490	0.000	1	118.4982	0.595	4	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[4,6]C[4,6]2H)(C[6]N[6]O)(H)	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]2H)(C[6]N[6]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	H(N[6]C[4,6]C[6])	118.0120	0.000	1	118.0120	0.000	1	115.9403	7.754	3	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]O)(H)	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]O)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	H(N[6]C[4,6]C[6])	114.9045	3.012	2	114.9045	9.070	2	115.9403	7.754	3	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O)	H(N[6]C[5,6,6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[5,6,6]C[6])	116.6050	0.000	1	117.7890	2.804	2	117.2625	1.307	4	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O)	H(N[6]C[5,6,6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[5,6,6]C[6])	118.9730	0.000	1	117.7890	2.804	2	117.2625	1.307	4	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O)	H(N[6]C[5,6,6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6]C[6,6a]O)(H){1|H<1>,2|C<3>,6|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(N[6]C[5,6,6]C[6])	116.7360	0.086	2	116.7360	0.007	2	117.2625	1.307	4	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[5,6,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]N[6]O)(H)	C[6](N[6]C[5,6,6]H)(N[6]C[6]H)(O)	H(N[6]C[5,6,6]C[6])	N[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]N[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](N[6]C[5,6,6]H)(N[6]C[6]H)(O){1|O<1>,3|C<4>}	H(N[6]C[5,6,6]C[6])	118.1410	0.000	1	118.1410	0.000	1	118.1410	0.000	1	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[5,6]C[6])	118.3815	2.568	4	118.3815	6.595	4	118.3815	6.595	4	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[5,6]H)(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[5,6]H)(O){1|H<1>,2|C<3>,2|C<4>}	H(N[6]C[5,6]C[6])	117.3220	0.000	1	117.3220	0.000	1	117.9412	1.436	10	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[5,6]C[6])	117.1430	0.000	1	116.8485	0.173	2	117.9412	1.436	10	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[5,6]C[6])	116.5540	0.000	1	116.8485	0.173	2	117.9412	1.436	10	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	H(N[6]C[5,6]C[6])	117.5800	0.000	2	117.7968	0.063	4	117.9412	1.436	10	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(N[6]C[5,6]C[6])	118.0135	0.009	2	117.7968	0.063	4	117.9412	1.436	10	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(N[6]C[5,6]C[6])	118.0795	0.156	2	118.0795	0.024	2	117.9412	1.436	10	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]O)(H){7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|H<1>,1|N<3>,4|C<3>}	H(N[6]C[5,6]C[6])	121.0470	0.000	1	121.0470	0.000	1	117.9412	1.436	10	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]N[5,6]S)(H)	C[6](N[5,6]C[5,5]N[5,6])(N[6]C[5,6]H)(S)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]N[5,6]S)(H){1|C<4>,1|O<1>,2|N<3>,4|C<3>}	C[6](N[5,6]C[5,5]N[5,6])(N[6]C[5,6]H)(S){3|C<4>,4|C<3>}	H(N[6]C[5,6]C[6])	118.0020	0.000	1	118.0020	0.000	1	118.0020	0.000	1	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[6]-3:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)	C[6](N[6]C[5,6]H)(C[6]N[6]C)(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[6]C[5,6]H)(C[6]N[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(N[6]C[5,6]C[6])	116.8565	0.483	2	116.8565	0.233	2	116.8565	0.233	2	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(H)	C[6](N[6]C[5,6]P[6,6])(N[6]C[5,6]H)(H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(H){1|P<4>,2|H<1>,4|C<4>}	C[6](N[6]C[5,6]P[6,6])(N[6]C[5,6]H)(H){1|Rh<4>,1|H<1>,6|C<4>}	H(N[6]C[5,6]C[6])	117.8235	0.025	2	117.8235	0.001	2	117.8235	0.001	2	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(H)	C[6](N[6]C[5,6]H)(N[6]C[6]H)(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](N[6]C[5,6]H)(N[6]C[6]H)(O){1|C<4>,3|C<3>}	H(N[6]C[5,6]C[6])	116.1630	0.000	1	116.1630	0.000	1	116.1630	0.000	1	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6]2N[6])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6]2N[6])(C[6]C[5,6]O)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,4|C<4>}	H(N[6]C[6,6]C[6])	116.9880	0.000	1	116.9880	0.000	1	116.9880	0.000	1	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5a,6]O)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5a,6]O)(H){1|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6,6]C[6])	118.9560	0.000	1	118.9560	0.000	1	118.9560	0.000	1	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6]C[6])	115.4830	0.000	1	115.4830	0.000	1	117.1814	5.155	24	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6,6]C[6])	123.0830	0.000	1	123.0830	0.000	1	117.1814	5.155	24	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(N[6]C[6,6]C[6])	116.2625	2.788	4	116.8474	4.120	8	117.1814	5.155	24	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6,6]C[6])	117.6090	1.274	2	116.8474	4.120	8	117.1814	5.155	24	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(N[6]C[6,6]C[6])	116.5360	0.000	1	116.8474	4.120	8	117.1814	5.155	24	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6]C[6])	117.9750	0.000	1	116.8474	4.120	8	117.1814	5.155	24	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6,6]C[6])	118.4210	0.199	2	117.6390	1.854	3	117.1814	5.155	24	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6,6]C[6])	116.0750	0.000	1	117.6390	1.854	3	117.1814	5.155	24	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6,6]C[6])	119.6675	0.026	2	119.6675	0.001	2	117.1814	5.155	24	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	H(N[6]C[6,6]C[6])	115.1640	0.000	2	115.5453	0.779	7	117.1814	5.155	24	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(N[6]C[6,6]C[6])	116.6185	1.053	2	115.5453	0.779	7	117.1814	5.155	24	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	H(N[6]C[6,6]C[6])	115.4830	0.000	1	115.5453	0.779	7	117.1814	5.155	24	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,1|S<2>,2|C<3>,2|C<4>}	H(N[6]C[6,6]C[6])	115.0990	0.000	1	115.5453	0.779	7	117.1814	5.155	24	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,2|C<3>,3|C<4>}	H(N[6]C[6,6]C[6])	114.6700	0.000	1	115.5453	0.779	7	117.1814	5.155	24	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(N[6]C[6,6]C[6])	120.4900	0.000	1	120.4900	0.000	1	117.1814	5.155	24	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6]N[6]2)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6]N[6]2)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	H(N[6]C[6,6]C[6])	117.4490	0.000	1	117.4490	0.000	1	117.1814	5.155	24	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|N<3>}	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(H){1|C<3>,2|H<1>,2|N<3>}	H(N[6]C[6,6]C[6])	120.5330	0.000	1	120.5330	0.000	1	120.5330	0.000	1	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]N[6]O)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]H)(C[6]N[6]O)(O){2|C<4>,2|H<1>}	H(N[6]C[6,6]C[6])	118.5690	0.000	1	118.5690	0.000	1	118.1420	8.171	3	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	H(N[6]C[6,6]C[6])	120.7630	0.000	1	120.7630	0.000	1	118.1420	8.171	3	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6]N[6]2)(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6]N[6]2)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|N<3>}	H(N[6]C[6,6]C[6])	115.0940	0.000	1	115.0940	0.000	1	118.1420	8.171	3	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6a]N[6])(C[6]N[6]O)(H)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6a]N[6])(C[6]N[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(N[6]C[6,6]C[6])	115.2355	1.552	2	115.2355	2.409	2	116.7963	5.333	4	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6,6]H)2(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]H)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(N[6]C[6,6]C[6])	116.9700	0.000	1	116.9700	0.000	1	116.7963	5.333	4	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6,6]H)2(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6]H)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(N[6]C[6,6]C[6])	119.7440	0.000	1	119.7440	0.000	1	116.7963	5.333	4	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H)	C[6](N[6]C[6,6]C)(N[6]C[6,6]H)(S)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6]C)(N[6]C[6,6]H)(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(N[6]C[6,6]C[6])	116.8650	0.000	1	116.8650	0.000	1	117.8852	1.394	5	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H)	C[6](N[6]C[6,6]H)2(S)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]H)2(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(N[6]C[6,6]C[6])	116.7680	0.000	1	116.7680	0.000	1	117.8852	1.394	5	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(S)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]S)(H){2|H<1>,3|C<4>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(S){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(N[6]C[6,6]C[6])	117.7010	0.000	1	117.7010	0.000	1	117.8852	1.394	5	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6,6]C)(N[6]C[6,6]H)(S)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[6,6]C)(N[6]C[6,6]H)(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(N[6]C[6,6]C[6])	118.5170	0.000	1	118.5170	0.000	1	117.8852	1.394	5	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6,6]H)2(S)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6]H)2(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(N[6]C[6,6]C[6])	119.5750	0.000	1	119.5750	0.000	1	117.8852	1.394	5	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	115.6210	2.046	2	115.6210	4.188	2	117.5165	3.213	23	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]O)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,5|C<3>}	H(N[6]C[6]2)	116.7030	0.000	1	116.7030	0.000	1	117.5165	3.213	23	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	116.0020	1.526	4	116.0020	2.329	4	117.5165	3.213	23	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(N[6]C[6]2)	118.4773	1.887	3	118.4773	3.561	3	117.5165	3.213	23	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	119.3830	1.435	3	118.1150	2.328	13	117.5165	3.213	23	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	117.7346	1.396	10	118.1150	2.328	13	117.5165	3.213	23	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	H(N[6]C[6]2)	117.9070	0.000	1	117.9070	0.000	1	119.0217	0.943	3	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]N[6]CaO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]N[6]CaO)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Ca<10>,1|O<3>,2|N<3>}	H(N[6]C[6]2)	119.4750	0.000	1	119.5790	0.022	2	119.0217	0.943	3	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]N[6]CaO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]N[6]CaO)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Ca<8>,1|O<3>,2|N<3>}	H(N[6]C[6]2)	119.6830	0.000	1	119.5790	0.022	2	119.0217	0.943	3	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6a]C[6])(C[6]C[6]O)(H){1|S<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6]S)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>}	H(N[6]C[6]2)	111.5490	0.000	1	111.5490	0.000	1	117.1680	12.910	17	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|C<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,3|C<4>}	H(N[6]C[6]2)	118.1120	0.000	1	118.1120	0.000	1	117.1680	12.910	17	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2)	116.3010	0.283	2	116.3010	0.080	2	117.1680	12.910	17	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	H(N[6]C[6]2)	118.3190	0.000	1	118.3190	0.000	1	117.1680	12.910	17	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<4>,3|H<1>}	H(N[6]C[6]2)	118.3290	0.000	1	116.0685	5.916	4	117.1680	12.910	17	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<4>,3|H<1>}	H(N[6]C[6]2)	116.6355	0.688	2	116.0685	5.916	4	117.1680	12.910	17	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	H(N[6]C[6]2)	112.6740	0.000	1	116.0685	5.916	4	117.1680	12.910	17	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2)	116.1705	0.426	2	116.1705	0.182	2	117.1680	12.910	17	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|H<1>}	H(N[6]C[6]2)	120.6965	2.159	2	120.6965	4.660	2	117.1680	12.910	17	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	H(N[6]C[6]2)	111.1450	0.000	1	111.1450	0.000	1	117.1680	12.910	17	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){1|C<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	H(N[6]C[6]2)	120.7070	4.638	3	120.7070	21.510	3	117.1680	12.910	17	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]N[6]CC)(C[6]C[6]S)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]N[6]CC)(C[6]C[6]S)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(S){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(N[6]C[6]2)	117.4680	0.000	1	117.4680	0.000	1	117.4680	0.000	1	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H){2|C<3>,2|H<1>}	H(N[6]C[6]2)	119.1110	0.000	1	119.1110	0.000	1	117.6010	5.894	4	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]HO)(C[6]N[6]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]HO)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	H(N[6]C[6]2)	113.9780	0.000	1	113.9780	0.000	1	117.6010	5.894	4	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]N[6]H)(H){2|C<4>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,4|H<1>}	H(N[6]C[6]2)	118.6575	0.206	2	118.6575	0.042	2	117.6010	5.894	4	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.2830	0.000	1	117.6575	0.783	2	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.0320	0.000	1	117.6575	0.783	2	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(N[6]C[6]2)	114.6380	2.178	2	114.6380	4.743	2	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O){1|C<4>,3|C<3>}	H(N[6]C[6]2)	115.7650	0.000	1	115.7650	0.000	1	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>}	H(N[6]C[6]2)	117.1370	0.281	2	117.1370	0.079	2	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]CP)(C[6]N[6]O)(H)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]CP)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O){1|C<4>,1|P<4>,2|C<3>}	H(N[6]C[6]2)	115.9960	0.000	1	115.9960	0.000	1	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)(H)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O){1|C<4>,3|C<3>}	H(N[6]C[6]2)	115.7810	0.000	1	115.7810	0.000	1	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	H(N[6]C[6]2)	118.6570	0.000	1	118.6570	0.000	1	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]N[6]O)(H){1|C<4>,3|H<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	116.5125	0.593	2	115.8400	5.934	4	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[6]2)	115.1675	3.955	2	115.8400	5.934	4	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CO)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CO)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(N[6]C[6]2)	115.1714	2.365	10	115.1714	5.594	10	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]DyO)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]DyO)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]H)2(O){1|Dy<21>,1|C<4>,1|O<1>,1|O<2>}	H(N[6]C[6]2)	117.5520	0.458	3	117.5520	0.209	3	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	H(N[6]C[6]2)	114.1900	0.000	1	114.1900	0.000	1	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,3|H<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,4|H<1>}	H(N[6]C[6]2)	115.4350	0.000	1	115.4350	0.000	1	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HO)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HO)(C[6]N[6]O)(H){2|Cl<1>,1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(N[6]C[6]2)	113.5790	0.000	1	113.5790	0.000	1	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.2947	0.765	3	118.2947	0.585	3	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]N[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[6]H)(N[6]N[6]H)(O){1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.2570	0.000	1	118.2570	0.000	1	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(N[6]C[6]2)	115.9162	2.740	12	117.0706	3.737	52	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.5976	1.428	33	117.0706	3.737	52	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6]H)2(O){1|H<1>,3|C<3>}	H(N[6]C[6]2)	116.5745	1.778	6	117.0706	3.737	52	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6]H)2(O){2|C<3>,2|H<1>}	H(N[6]C[6]2)	116.5060	0.000	1	117.0706	3.737	52	116.7071	4.071	86	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.6860	0.000	1	117.2940	0.479	4	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	118.0100	0.000	1	117.2940	0.479	4	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	116.7400	0.395	2	117.2940	0.479	4	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]S)(H)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(S){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.5970	0.000	1	117.4640	0.035	2	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]S)(H)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]S)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(S){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(N[6]C[6]2)	117.3310	0.000	1	117.4640	0.035	2	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]CC)(C[6]N[6]S)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]CC)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	H(N[6]C[6]2)	115.8294	1.080	18	115.8294	1.166	18	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[6]2)	116.3100	2.278	2	115.7807	3.436	3	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	114.7220	0.000	1	115.7807	3.436	3	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]N[6]S)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]N[6]S)(H){3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){1|H<1>,2|C<4>,3|C<3>}	H(N[6]C[6]2)	118.4810	0.000	1	118.4810	0.000	1	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]CO)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]CO)(C[6]N[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(N[6]C[6]2)	115.8693	1.736	3	116.8842	2.680	6	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]CO)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]CO)(C[6]N[6]S)(H){1|C<4>,3|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(N[6]C[6]2)	118.4650	0.000	1	116.8842	2.680	6	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]CO)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6]CO)(C[6]N[6]S)(H){1|C<4>,3|H<1>}	C[6](N[6]C[6]H)2(S){2|O<2>,3|C<4>}	H(N[6]C[6]2)	117.6160	0.843	2	116.8842	2.680	6	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]N[6]S)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]N[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,1|O<1>,2|H<1>}	H(N[6]C[6]2)	115.6510	2.551	3	115.6510	6.507	3	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6]S)(S)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[6](N[6]C[6]H)(N[6]C[6]S)(S){1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2)	116.7750	0.331	2	116.7750	0.110	2	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	113.0850	0.000	1	117.6684	4.711	45	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(N[6]C[6]2)	116.3090	0.000	1	117.6684	4.711	45	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(N[6]C[6]2)	117.9160	0.000	1	117.6684	4.711	45	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(N[6]C[6]2)	117.1237	0.712	3	117.6684	4.711	45	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	117.9553	1.496	35	117.6684	4.711	45	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6]H)2(S){2|C<3>,2|H<1>}	H(N[6]C[6]2)	123.6480	0.000	1	117.6684	4.711	45	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6]H)2(S){1|H<1>,3|C<3>}	H(N[6]C[6]2)	114.7723	4.616	3	117.6684	4.711	45	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6a]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]N[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]O)(C[6]N[6]S)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[6]H)(N[6]N[6]H)(S){1|O<2>,2|C<3>}	H(N[6]C[6]2)	117.6210	0.000	1	117.6210	0.000	1	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6a]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]O)(C[6]N[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(N[6]C[6]2)	117.2060	0.000	1	117.2060	0.000	1	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6]H)2(S){1|N<3>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	117.9977	1.910	4	117.8082	2.915	5	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(S)	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)(H){1|H<1>,3|C<3>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(N[6]C[6]2)	117.0500	0.000	1	117.8082	2.915	5	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:	N[6](C[6]N[6]HH)(C[6]N[6]S)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]N[6]HH)(C[6]N[6]S)(H){1|C<3>,2|C<4>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|N<3>,4|H<1>}	H(N[6]C[6]2)	118.0195	0.174	4	118.0195	0.030	4	117.1336	3.593	95	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	S[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](S[6]O[6]OO)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]S[6]H)(O)	H(N[6]C[6]S[6])	N[6](S[6]O[6]OO)(C[6]C[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]S[6]H)(O){1|C<4>,1|O<2>,2|O<1>}	H(N[6]C[6]S[6])	118.8607	4.137	3	118.8607	17.112	3	118.8607	17.112	3	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	S[6]-4:C[6]-3:H-1:	N[6,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](S[6]N[6,6]OO)(C[6]N[6,6]O)(H)	C[6](N[6,6]C[3x6]C[6])(N[6]S[6]H)(O)	H(N[6]C[6]S[6])	N[6](S[6]N[6,6]OO)(C[6]N[6,6]O)(H){3|C<4>}	C[6](N[6,6]C[3x6]C[6])(N[6]S[6]H)(O){1|N<3>,2|H<1>,2|O<1>,3|C<4>}	H(N[6]C[6]S[6])	116.9530	0.000	1	116.9530	0.000	1	116.9530	0.000	1	117.1622	4.291	311	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:2:	3:	B[6,6]-4:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]B[6,6]H)(N[6]C[6,6])	H(N[6]B[6,6]C[6])	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6a]N[6])(H){1|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(N[6]B[6,6]H)(N[6]C[6,6]){2|H<1>,2|N<3>,4|C<3>}	H(N[6]B[6,6]C[6])	119.8475	2.306	2	119.8475	5.317	2	119.8475	5.317	2	118.3278	1.948	26	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:2:	3:	B[6]-4:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]B[6]H)(N[6]C[6])	H(N[6]B[6]C[6])	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(H){8|C<3>}	C[6](C[6a]C[6a]2)(N[6]B[6]H)(N[6]C[6]){1|N<3>,2|H<1>,5|C<3>}	H(N[6]B[6]C[6])	117.1010	0.000	1	117.1010	0.000	1	117.1010	0.000	1	118.3278	1.948	26	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:2:	3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6,6]C[6]2N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6,6]H)(NS)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6]2N[6])(C[6]C[6]N)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6,6]H)(NS){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(N[6]C[6,6]C[6])	113.7280	0.000	1	113.7280	0.000	1	113.7280	0.000	1	118.3278	1.948	26	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:2:	3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){6|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|Cl<1>,2|H<1>,5|C<3>}	H(N[6]C[6]2)	119.6845	0.766	2	119.1853	1.041	3	119.1853	1.041	3	118.3278	1.948	26	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:2:	3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){6|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|O<2>,2|H<1>,5|C<3>}	H(N[6]C[6]2)	118.1870	0.000	1	119.1853	1.041	3	119.1853	1.041	3	118.3278	1.948	26	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:2:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:N-2:	N[6]-3:	N[6](C[6]N[6]HH)(C[6]N[6]N)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(NN)	H(N[6]C[6]2)	N[6](C[6]N[6]HH)(C[6]N[6]N)(H){3|C<4>}	C[6](N[6]C[6]C)(N[6]C[6]H)(NN){1|N<3>,4|H<1>}	H(N[6]C[6]2)	118.1058	1.313	5	118.1058	1.724	5	118.1058	1.724	5	118.3278	1.948	26	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:2:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(SCo)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]N[6]S)(H){1|C<4>,3|H<1>}	C[6](N[6]C[6]H)2(SCo){1|C<4>,4|H<1>}	H(N[6]C[6]2)	118.0998	0.131	4	118.0998	0.017	4	118.4224	0.350	14	118.3278	1.948	26	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:2:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(SCu)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]N[6]S)(H){1|C<4>,3|H<1>}	C[6](N[6]C[6]H)2(SCu){1|C<4>,4|H<1>}	H(N[6]C[6]2)	117.7720	0.126	2	117.7720	0.016	2	118.4224	0.350	14	118.3278	1.948	26	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:2:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:S-2:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)2(SS)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]N[6]S)(H){1|C<4>,3|H<1>}	C[6](N[6]C[6]H)2(SS){1|C<4>,4|H<1>}	H(N[6]C[6]2)	118.7464	0.583	8	118.7464	0.340	8	118.4224	0.350	14	118.3278	1.948	26	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	B[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H)	H(N[6]B[6]C[6])	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(H){1|H<1>,8|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H){1|N<3>,2|H<1>,5|C<3>}	H(N[6]B[6]C[6])	117.1640	1.126	2	117.1640	1.267	2	117.1640	1.267	2	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	B[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](B[6]C[6a]2N[6])(C[6]C[6]N)(H)	C[6](C[6]P[6]P)(N[6]B[6]H)(NC[6a]H)	H(N[6]B[6]C[6])	N[6](B[6]C[6a]2N[6])(C[6]C[6]N)(H){1|P<3>,1|P<4>,5|C<3>}	C[6](C[6]P[6]P)(N[6]B[6]H)(NC[6a]H){1|N<3>,4|C<3>}	H(N[6]B[6]C[6])	114.5450	0.000	1	114.5450	0.000	1	114.5450	0.000	1	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(NCH)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(NCH){2|H<1>,3|C<4>}	H(N[6]C[6,6]C[6])	118.0130	0.000	1	118.0130	0.000	1	118.0130	0.000	1	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6,6]H)(C[6]N[6]N)(NIrO)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H){2|C<4>,2|N<3>,3|H<1>}	C[6](N[6]C[6,6]H)(C[6]N[6]N)(NIrO){2|C<4>,2|H<1>}	H(N[6]C[6,6]C[6])	120.4935	0.125	2	120.4935	0.016	2	120.4935	0.016	2	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6,6]C[6,6,6a]N[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6,6]H)(NHH)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6,6a]N[6]H)(C[6]N[6]N)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6,6]H)(NHH){1|H<1>,1|N<3>,2|C<3>}	H(N[6]C[6,6]C[6])	116.3055	2.348	2	116.3055	5.515	2	117.3903	6.288	3	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]N)(H){3|C<4>,4|H<1>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH){2|H<1>,3|C<4>}	H(N[6]C[6,6]C[6])	119.5600	0.000	1	119.5600	0.000	1	117.3903	6.288	3	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCC)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCC){2|C<3>,2|C<4>}	H(N[6]C[6]2)	118.6920	0.420	2	118.6920	0.176	2	118.6920	0.176	2	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]2C[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]2C[6])(C[6]C[6a]C[6])(H){1|C<2>,1|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){2|H<1>,6|C<3>}	H(N[6]C[6]2)	118.9990	0.000	1	118.9990	0.000	1	118.9990	0.000	1	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCC)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){2|C<4>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCC){1|C<4>,4|H<1>}	H(N[6]C[6]2)	118.6845	0.286	2	118.6845	0.082	2	119.2881	3.564	13	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCP)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){2|C<4>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCP){1|C<4>,4|H<1>}	H(N[6]C[6]2)	118.9087	4.108	3	118.9087	16.873	3	119.2881	3.564	13	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)2(CNN)	H(N[6]C[6]2)	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(CNN){1|C<3>,1|N<3>,2|H<1>}	H(N[6]C[6]2)	120.8505	0.155	2	119.5812	1.014	8	119.2881	3.564	13	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)2(CNN)	H(N[6]C[6]2)	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]H)2(CNN){1|N<3>,4|H<1>}	H(N[6]C[6]2)	118.6450	1.254	2	119.5812	1.014	8	119.2881	3.564	13	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)2(CNN)	H(N[6]C[6]2)	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|H<1>,2|C<4>}	C[6](N[6]C[6]H)2(CNN){1|N<3>,4|H<1>}	H(N[6]C[6]2)	119.4147	0.371	4	119.5812	1.014	8	119.2881	3.564	13	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(H)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH){1|H<1>,3|C<3>}	H(N[6]C[6]2)	114.8730	1.022	3	114.8730	1.044	3	117.5929	7.880	7	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6,6]HH)(C[6]N[6]N)(H)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6,6]HH)(C[6]N[6]N)(H){2|C<4>,2|H<1>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH){2|H<1>,3|C<4>}	H(N[6]C[6]2)	117.7120	0.000	1	117.7120	0.000	1	117.5929	7.880	7	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NC[6a]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6]H)2(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	120.2730	0.847	3	120.2730	0.717	3	117.5929	7.880	7	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	Ga[6,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]C[6a]N[6])(H)	C[6](N[6]Ga[4x6]C[6a])(N[6]Ga[6,6]H)(C[6a]C[6a]2)	H(N[6]Ga[6,6]C[6])	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]C[6a]N[6])(H){1|Ga<4>,6|C<3>}	C[6](N[6]Ga[4x6]C[6a])(N[6]Ga[6,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>,4|N<3>}	H(N[6]Ga[6,6]C[6])	114.6680	0.000	1	114.6680	0.000	1	114.6680	0.000	1	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	Ge[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N[6]-3:	N[6](Ge[6]N[6]Cl2)(C[6]C[6]N)(H)	C[6](N[6]Ge[6]H)(C[6]C[6]H)(NCC)	H(N[6]Ge[6]C[6])	N[6](Ge[6]N[6]Cl2)(C[6]C[6]N)(H){1|Ge<4>,1|C<3>,1|H<1>}	C[6](N[6]Ge[6]H)(C[6]C[6]H)(NCC){2|Cl<1>,2|N<3>}	H(N[6]Ge[6]C[6])	119.6990	0.000	1	119.6990	0.000	1	119.6990	0.000	1	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	S[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O)	H(N[6]C[6]S[6])	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O){2|C<3>,2|O<1>}	H(N[6]C[6]S[6])	118.5355	2.546	2	118.5355	6.484	2	120.3734	5.372	5	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	S[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CNO)	H(N[6]C[6]S[6])	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CNO){2|C<3>,2|O<1>}	H(N[6]C[6]S[6])	121.9540	0.000	1	121.9540	0.000	1	120.3734	5.372	5	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	S[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(COO)	H(N[6]C[6]S[6])	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(COO){2|C<3>,2|O<1>}	H(N[6]C[6]S[6])	121.4210	1.885	2	121.4210	3.554	2	120.3734	5.372	5	118.6296	5.364	39	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	B[5a,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](B[5a,6]C[6,6a]O[5a]2)(C[6]N[6]C)(H)	C[6](N[6]B[5a,6]H)(N[6]C[6,6a]H)(CH3)	H(N[6]B[5a,6]C[6])	N[6](B[5a,6]C[6,6a]O[5a]2)(C[6]N[6]C)(H){1|H<1>,4|C<3>}	C[6](N[6]B[5a,6]H)(N[6]C[6,6a]H)(CH3){2|C<3>,2|O<2>}	H(N[6]B[5a,6]C[6])	111.3240	0.000	1	111.3240	0.000	1	111.3240	0.000	1	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	B[6,6a]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](B[6,6a]C[6,6a]O[6a]2)(C[6]N[6]C)(H)	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CCHH)	H(N[6]B[6,6a]C[6])	N[6](B[6,6a]C[6,6a]O[6a]2)(C[6]N[6]C)(H){1|H<1>,4|C<3>}	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CCHH){2|C<3>,2|O<2>}	H(N[6]B[6,6a]C[6])	113.6500	0.000	1	113.6500	0.000	1	114.8425	2.844	2	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	B[6,6a]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](B[6,6a]C[6,6a]O[6a]2)(C[6]N[6]C)(H)	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CH3)	H(N[6]B[6,6a]C[6])	N[6](B[6,6a]C[6,6a]O[6a]2)(C[6]N[6]C)(H){1|H<1>,4|C<3>}	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CH3){2|C<3>,2|O<2>}	H(N[6]B[6,6a]C[6])	116.0350	0.000	1	116.0350	0.000	1	114.8425	2.844	2	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	B[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](B[6]C[6a]2N[6])(C[6]C[6]C)(H)	C[6](C[6]N[6]C)(N[6]B[6]H)(CH3)	H(N[6]B[6]C[6])	N[6](B[6]C[6a]2N[6])(C[6]C[6]C)(H){1|N<2>,6|C<3>}	C[6](C[6]N[6]C)(N[6]B[6]H)(CH3){1|N<3>,2|C<3>}	H(N[6]B[6]C[6])	115.8175	1.600	2	115.8175	2.561	2	116.3437	2.111	3	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	B[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(N[6]B[6]H)(CH3)	H(N[6]B[6]C[6])	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C)(H){1|H<1>,6|C<3>}	C[6](C[6]C[6,6]H)(N[6]B[6]H)(CH3){1|N<3>,3|C<3>}	H(N[6]B[6]C[6])	117.3960	0.000	1	117.3960	0.000	1	116.3437	2.111	3	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	C[4,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(N[6]C[4,6]C[6])	116.0840	0.000	1	116.8392	0.500	4	116.8392	0.500	4	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	C[4,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	H(N[6]C[4,6]C[6])	117.3980	0.416	2	116.8392	0.500	4	116.8392	0.500	4	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	C[4,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H){3|C<3>,3|C<4>}	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(N[6]C[4,6]C[6])	116.4770	0.000	1	116.8392	0.500	4	116.8392	0.500	4	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]H)(CF3)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]C)(N[6]C[6,6]H)(CF3){2|H<1>,3|C<4>}	H(N[6]C[6,6]C[6])	118.7940	0.000	1	118.7940	0.000	1	118.7940	0.000	1	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6]2)	118.5500	0.000	1	118.5500	0.000	1	118.4514	44.576	7	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]CeO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]CeO)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Ce<12>,1|C<3>,1|H<1>,1|O<2>}	H(N[6]C[6]2)	123.0390	0.000	1	113.4145	185.262	2	118.4514	44.576	7	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]CeO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]CeO)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Ce<13>,1|C<3>,1|H<1>,1|O<2>}	H(N[6]C[6]2)	103.7900	0.000	1	113.4145	185.262	2	118.4514	44.576	7	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2)	118.9900	0.000	1	118.9900	0.000	1	118.4514	44.576	7	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	122.0585	0.441	2	122.0585	0.194	2	118.4514	44.576	7	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6a]O[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	H(N[6]C[6]2)	N[6](C[6]C[6a]O[6]C)(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|O<1>,1|O<2>,2|C<3>}	H(N[6]C[6]2)	120.6740	0.000	1	120.6740	0.000	1	118.4514	44.576	7	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)2(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]N[6]C)(H){1|C<4>,3|H<1>}	C[6](N[6]C[6]H)2(CH3){1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2)	121.3300	3.845	3	121.3300	14.786	3	119.2506	7.905	41	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHH)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){2|C<4>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	H(N[6]C[6]2)	118.9948	3.114	25	118.9948	9.697	25	119.2506	7.905	41	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHP)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){2|C<4>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHP){1|C<4>,4|H<1>}	H(N[6]C[6]2)	117.1985	3.289	2	117.1985	10.816	2	119.2506	7.905	41	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)2(CCCO)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,3|H<1>}	C[6](N[6]C[6]H)2(CCCO){1|C<4>,4|H<1>}	H(N[6]C[6]2)	119.3480	2.991	2	119.3480	8.946	2	119.2506	7.905	41	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)2(CCHH)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,3|H<1>}	C[6](N[6]C[6]H)2(CCHH){1|C<4>,4|H<1>}	H(N[6]C[6]2)	119.5963	1.327	6	119.5963	1.761	6	119.2506	7.905	41	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)2(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,3|H<1>}	C[6](N[6]C[6]H)2(CH3){1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2)	119.9137	0.361	3	119.9137	0.130	3	119.2506	7.905	41	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	Ga[6,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](Ga[6,6]N[6,6]N[6]C)(C[6]N[6]C)(H)	C[6](N[6]Ga[6,6]C[6a])(N[6]Ga[6,6]H)(CH3)	H(N[6]Ga[6,6]C[6])	N[6](Ga[6,6]N[6,6]N[6]C)(C[6]N[6]C)(H){1|Ga<4>,4|C<3>}	C[6](N[6]Ga[6,6]C[6a])(N[6]Ga[6,6]H)(CH3){2|C<3>,2|C<4>,3|N<3>}	H(N[6]Ga[6,6]C[6])	111.1125	2.655	2	111.1125	7.050	2	111.1125	7.050	2	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:4:	3:	S[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](S[6]N[6]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(N[6]S[6]H)(CH3)	H(N[6]C[6]S[6])	N[6](S[6]N[6]OO)(C[6]C[6]C)(H){2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]S[6]H)(CH3){1|C<4>,1|N<2>,2|C<3>,2|O<1>}	H(N[6]C[6]S[6])	121.2450	0.000	1	121.2450	0.000	1	121.2450	0.000	1	118.3564	13.789	62	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:4:1:	3:	C[3x6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(H)	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O)	H(N[6]C[3x6]C[6])	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(N[6]C[3x6]C[6])	116.8520	0.000	1	116.5510	0.070	3	116.5510	0.070	3	116.6352	1.593	23	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:4:1:	3:	C[3x6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(H)	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O)	H(N[6]C[3x6]C[6])	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(N[6]C[3x6]C[6])	116.4005	0.062	2	116.5510	0.070	3	116.5510	0.070	3	116.6352	1.593	23	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:4:1:	3:	C[4,5,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]O)(H)	C[6](N[6]C[4,5,6]H)(C[6]C[6]HH)(O)	H(N[6]C[4,5,6]C[6])	N[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](N[6]C[4,5,6]H)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(N[6]C[4,5,6]C[6])	117.7780	0.000	1	117.7780	0.000	1	117.7780	0.000	1	116.6352	1.593	23	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:4:1:	3:	C[4,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[4,6]C[4,6]C[4]C[6])(C[6]C[6]O)(H)	C[6](N[6]C[4,6]H)(C[6]N[6]CH)(O)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]C[4]C[6])(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](N[6]C[4,6]H)(C[6]N[6]CH)(O){1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[4,6]C[6])	116.6190	0.000	1	116.6190	0.000	1	116.7335	0.026	2	116.6352	1.593	23	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:4:1:	3:	C[4,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]HH)(O)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](N[6]C[4,6]H)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(N[6]C[4,6]C[6])	116.8480	0.000	1	116.8480	0.000	1	116.7335	0.026	2	116.6352	1.593	23	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:4:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(N[6]C[5,6]C[6])	115.8910	0.000	1	115.8910	0.000	1	117.1176	1.895	8	116.6352	1.593	23	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:4:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]C[6]O)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(N[6]C[5,6]C[6])	117.6890	0.000	1	117.6890	0.000	1	117.1176	1.895	8	116.6352	1.593	23	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:4:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]CC)(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(H){3|C<4>,5|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	H(N[6]C[5,6]C[6])	115.4760	0.000	1	115.4760	0.000	1	117.1176	1.895	8	116.6352	1.593	23	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:4:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O){1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[5,6]C[6])	117.4890	1.805	3	117.7302	2.405	4	117.1176	1.895	8	116.6352	1.593	23	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:4:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|O<1>,2|C<4>,2|N<3>,5|H<1>}	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O){1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[5,6]C[6])	118.4540	0.000	1	117.7302	2.405	4	117.1176	1.895	8	116.6352	1.593	23	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:4:1:	3:	C[5,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]O)(H)	C[6](N[6]C[5,6]H)(C[6]N[6]CS)(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[5,6]H)(C[6]N[6]CS)(O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	H(N[6]C[5,6]C[6])	116.9640	0.000	1	116.9640	0.000	1	117.1176	1.895	8	116.6352	1.593	23	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:4:1:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){4|C<4>,4|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(N[6]C[6,6]C[6])	115.8190	0.000	1	115.8190	0.000	1	115.6949	1.453	7	116.6352	1.593	23	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:4:1:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]N[6]CC)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]H)(C[6]N[6]CC)(O){2|C<4>,2|H<1>}	H(N[6]C[6,6]C[6])	117.4370	0.000	1	117.4370	0.000	1	115.6949	1.453	7	116.6352	1.593	23	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:4:1:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H){3|C<4>,5|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6,6]C[6])	114.5095	0.234	2	114.5095	0.055	2	115.6949	1.453	7	116.6352	1.593	23	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:4:1:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]O[6]HH)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]H)(C[6]O[6]HH)(O){1|C<4>,1|H<1>,1|O<2>}	H(N[6]C[6,6]C[6])	116.4650	0.000	1	116.4650	0.000	1	115.6949	1.453	7	116.6352	1.593	23	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:4:1:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6]C[6]3)(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]N[6]CH)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6]3)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](N[6]C[6,6]H)(C[6]N[6]CH)(O){1|C<3>,3|C<4>}	H(N[6]C[6,6]C[6])	115.5620	1.475	2	115.5620	2.176	2	115.6949	1.453	7	116.6352	1.593	23	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:4:1:	3:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:S-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(S)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H){3|C<4>,5|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(S){2|C<4>,3|H<1>}	H(N[6]C[6,6]C[6])	117.4535	1.467	2	117.4535	2.153	2	117.4535	2.153	2	116.6352	1.593	23	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:4:2:	3:	B[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:N[6]-2:	N[6]-3:	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6]N[6])(H)	C[6](N[6]B[6,6]H)(C[6]C[6]2H)(N[6]C[6,6])	H(N[6]B[6,6]C[6])	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6]N[6])(H){2|C<4>,2|H<1>,5|C<3>}	C[6](N[6]B[6,6]H)(C[6]C[6]2H)(N[6]C[6,6]){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(N[6]B[6,6]C[6])	117.3380	1.336	2	117.3380	1.786	2	117.3380	1.786	2	117.3380	1.786	2	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[5,6,6]N[5,6,6]C[5,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]C[6a]2)(N[6]C[5,6,6]H)(O)	H(N[6]C[5,6,6]C[6])	N[6](C[5,6,6]N[5,6,6]C[5,6]C[6])(C[6]C[6]O)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6]C[6a]2)(N[6]C[5,6,6]H)(O){1|C<4>,1|N<3>,6|C<3>}	H(N[6]C[5,6,6]C[6])	116.9150	0.000	1	116.9150	0.000	1	116.9150	0.000	1	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[5,6]C[5]2C[6])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5]2N[6])(N[6]C[5,6]H)(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5]2C[6])(C[6]C[5,6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2N[6])(N[6]C[5,6]H)(O){2|C<4>,3|C<3>,5|H<1>}	H(N[6]C[5,6]C[6])	116.3390	1.707	4	116.3390	2.912	4	116.3390	2.912	4	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[5,6]H)(O)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(N[6]C[5,6]H)(O){2|C<3>,2|C<4>}	H(N[6]C[5,6]C[6])	116.5377	1.066	3	116.5377	1.137	3	116.5377	1.137	3	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6,6]H)(O){1|N<3>,3|H<1>,4|C<4>}	H(N[6]C[6,6]C[6])	117.0815	0.681	12	117.0815	0.464	12	117.0815	0.464	12	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(O){1|N<3>,3|H<1>,4|C<4>}	H(N[6]C[6,6]C[6])	116.8645	0.257	2	116.8645	0.066	2	116.8645	0.066	2	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(O){1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6,6]C[6])	115.6368	2.182	16	115.6368	4.759	16	115.6011	8.971	27	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]Cl2)(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H){2|Cl<1>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]Cl2)(N[6]C[6,6]H)(O){2|H<1>,3|C<4>}	H(N[6]C[6,6]C[6])	115.8170	0.000	1	115.8170	0.000	1	115.6011	8.971	27	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]N[5a,6]CC)(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H){1|N<2>,1|N<3>,4|C<4>,4|H<1>}	C[6](C[6]N[5a,6]CC)(N[6]C[6,6]H)(O){1|C<3>,1|N<2>,2|C<4>}	H(N[6]C[6,6]C[6])	113.9377	6.587	4	113.9377	43.382	4	115.6011	8.971	27	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]H)(O){1|N<2>,2|C<4>,3|C<3>}	H(N[6]C[6,6]C[6])	114.2090	0.000	1	114.2090	0.000	1	115.6011	8.971	27	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6]C[6])	115.4640	0.000	1	115.4640	0.000	1	115.6011	8.971	27	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O){1|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6]C[6])	118.5510	0.317	2	118.5510	0.100	2	115.6011	8.971	27	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(N[6]C[6,6]C[6])	116.3280	0.000	1	116.3280	0.000	1	115.6011	8.971	27	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HS)(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6,6]HS)(N[6]C[6,6]H)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(N[6]C[6,6]C[6])	116.3700	0.000	1	116.3700	0.000	1	115.6011	8.971	27	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:S-1:	N[6]-3:	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(S)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(N[6]C[6,6]C[6])	115.7790	0.287	2	115.7790	0.082	2	115.7790	0.082	2	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]H)(O){1|C<4>,2|O<2>,5|H<1>}	H(N[6]C[6]2)	117.9460	0.000	1	117.9460	0.000	1	117.9460	0.000	1	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O){2|C<4>,6|H<1>}	H(N[6]C[6]2)	115.4620	0.000	1	115.4620	0.000	1	117.2867	6.520	4	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	118.5220	0.000	1	118.5220	0.000	1	117.2867	6.520	4	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	H(N[6]C[6]2)	114.8860	0.000	1	114.8860	0.000	1	117.2867	6.520	4	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]H)(O){2|H<1>,3|C<3>,3|C<4>}	H(N[6]C[6]2)	120.2770	0.000	1	120.2770	0.000	1	117.2867	6.520	4	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	H(N[6]C[6]2)	111.2050	0.000	1	114.6385	23.578	2	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6]2)	118.0720	0.000	1	114.6385	23.578	2	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]CC)(C[6]C[6]O)(H)	C[6](C[6]N[5,6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]CC)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|C<4>}	C[6](C[6]N[5,6]CC)(N[6]C[6]H)(O){2|C<3>,2|C<4>}	H(N[6]C[6]2)	115.0530	0.000	1	115.0530	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[5,6]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]N[5,6]CH)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	H(N[6]C[6]2)	118.0990	0.000	1	118.0990	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(H)	C[6](C[6]N[5a,6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|C<4>}	C[6](C[6]N[5a,6]CC)(N[6]C[6]H)(O){1|C<3>,1|N<2>,2|C<4>}	H(N[6]C[6]2)	112.9030	1.077	4	112.9030	1.160	4	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[5a,6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	116.4085	1.128	2	116.4085	1.272	2	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2)	115.9470	1.506	2	115.9470	2.268	2	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>}	H(N[6]C[6]2)	118.2360	1.117	4	118.2360	1.248	4	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	125.7870	0.000	1	125.7870	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>}	H(N[6]C[6]2)	115.8260	0.000	1	115.8260	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]N[5]H)(C[6]C[6]O)(H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]N[5]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,1|N<3>,3|C<4>}	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	H(N[6]C[6]2)	119.7020	0.000	1	119.7020	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]N[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[6]CC)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[6]2)	115.2200	0.000	1	115.2200	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,2|C<4>}	H(N[6]C[6]2)	117.1230	0.000	1	117.1230	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6]2)	115.3010	0.000	1	115.3010	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	H(N[6]C[6]2)	114.3120	0.000	1	114.3120	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	H(N[6]C[6]2)	116.3530	4.506	2	116.3530	20.301	2	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	H(N[6]C[6]2)	117.2390	0.033	2	116.5483	1.285	11	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6]2)	116.5895	0.093	2	116.5483	1.285	11	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	H(N[6]C[6]2)	116.3391	1.389	7	116.5483	1.285	11	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6]2)	115.9850	0.000	1	115.9850	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]2)	115.8120	0.000	1	115.8120	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[5a]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	H(N[6]C[6]2)	116.0600	0.000	1	116.0600	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2)	116.6404	3.410	19	116.8648	8.823	26	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[6]2)	117.4740	1.129	7	116.8648	8.823	26	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(N[6]C[6]2)	117.7260	0.000	1	116.4673	5.560	3	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2)	113.7470	0.000	1	116.4673	5.560	3	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[6]2)	117.9290	0.000	1	116.4673	5.560	3	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	118.5100	2.189	4	118.5100	4.793	4	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CO)(C[6]C[6]O)(H)	C[6](C[6]N[6]CS)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CO)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[6]CS)(N[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>}	H(N[6]C[6]2)	116.3750	0.000	1	116.3750	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	H(N[6]C[6]2)	114.7425	0.757	2	114.7425	0.574	2	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CF)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]CF)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	H(N[6]C[6]2)	117.8286	3.524	5	117.8286	12.422	5	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CN)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CN)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	H(N[6]C[6]2)	116.1370	0.598	2	116.1370	0.358	2	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	H(N[6]C[6]2)	114.8670	0.000	1	116.3006	1.195	18	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	H(N[6]C[6]2)	115.8315	2.461	2	116.3006	1.195	18	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	H(N[6]C[6]2)	116.4587	0.902	15	116.3006	1.195	18	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HN)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	H(N[6]C[6]2)	114.7880	0.000	1	114.7880	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CC)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]CC)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	H(N[6]C[6]2)	115.2190	0.000	1	115.2190	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,3|H<1>}	H(N[6]C[6]2)	117.1750	0.000	1	117.7230	0.601	2	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|Mo<12>,1|C<3>,2|H<1>}	H(N[6]C[6]2)	118.2710	0.000	1	117.7230	0.601	2	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2)	117.5330	0.000	1	116.6968	6.102	24	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,3|H<1>}	H(N[6]C[6]2)	116.6958	2.573	22	116.6968	6.102	24	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){2|H<1>,3|C<4>}	H(N[6]C[6]2)	115.8840	0.000	1	116.6968	6.102	24	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]O[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]H)(O){1|C<3>,2|H<1>}	H(N[6]C[6]2)	117.8860	0.000	1	117.8860	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CF)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]CF)(N[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	115.7960	0.000	1	115.7960	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]FH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2)	116.6230	0.000	1	116.6230	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2)	115.8340	0.000	1	115.4825	0.247	2	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]2)	115.1310	0.000	1	115.4825	0.247	2	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){2|C<3>,2|H<1>}	H(N[6]C[6]2)	114.2280	0.000	1	114.2280	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|H<1>,2|C<3>}	H(N[6]C[6]2)	114.8855	0.374	2	114.8855	0.140	2	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	119.3560	0.000	1	119.3560	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]P[6]CH)(C[6]C[6]O)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]P[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|P<4>}	H(N[6]C[6]2)	113.8500	0.000	1	113.8500	0.000	1	116.5567	5.707	138	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]CC)(C[6]C[6]S)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]CC)(C[6]C[6]S)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(S){1|C<3>,2|C<4>}	H(N[6]C[6]2)	119.1380	0.000	1	116.4797	5.301	3	116.4797	5.301	3	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:S-1:	N[6]-3:	N[6](C[6]C[6]CC)(C[6]C[6]S)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(S)	H(N[6]C[6]2)	N[6](C[6]C[6]CC)(C[6]C[6]S)(H){1|C<4>,1|H<1>,1|O<2>,1|S<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(S){1|C<3>,2|C<4>}	H(N[6]C[6]2)	115.1505	0.040	2	116.4797	5.301	3	116.4797	5.301	3	116.4708	5.580	197	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:3:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]2)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]H){2|H<1>,2|O<1>,2|O<2>,3|C<4>}	H(N[6]C[6]2)	114.8400	0.000	1	114.8400	0.000	1	114.8400	0.000	1	121.9717	63.876	3	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:3:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCH)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCH){1|C<4>,4|H<1>}	H(N[6]C[6]2)	130.6100	0.000	1	130.6100	0.000	1	130.6100	0.000	1	121.9717	63.876	3	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:3:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:N-3:	N[6]-3:	N[6](C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6]HW)(N[6]C[6]H)(NCC)	H(N[6]C[6]2)	N[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HW)(N[6]C[6]H)(NCC){1|C<4>,3|H<1>}	H(N[6]C[6]2)	120.4650	0.000	1	120.4650	0.000	1	120.4650	0.000	1	121.9717	63.876	3	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	6:3:1:	3:3:1:	3:	B[5x3,5x5,21x6]-6:C[6]-3:H-1:	N[6]-3:C[6,6a]-3:O-1:	N[6]-3:	N[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6,6a]O)(H)	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O)	H(N[6]B[5x3,5x5,21x6]C[6])	N[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6,6a]O)(H){1|C<6>,2|C<3>,4|B<6>,4|H<1>}	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<6>,1|F<1>,2|C<3>,4|B<6>}	H(N[6]B[5x3,5x5,21x6]C[6])	115.6930	0.000	1	116.1293	0.183	3	116.1293	0.183	3	116.1293	0.183	3	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	6:3:1:	3:3:1:	3:	B[5x3,5x5,21x6]-6:C[6]-3:H-1:	N[6]-3:C[6,6a]-3:O-1:	N[6]-3:	N[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6,6a]O)(H)	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O)	H(N[6]B[5x3,5x5,21x6]C[6])	N[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6,6a]O)(H){1|C<6>,2|C<3>,4|B<6>,4|H<1>}	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	H(N[6]B[5x3,5x5,21x6]C[6])	116.3475	0.284	2	116.1293	0.183	3	116.1293	0.183	3	116.1293	0.183	3	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP2_SP-NON_SP2	N[6]	C[6]	H	7:3:1:	3:3:4:	3:	Nb[3,3,6]-7:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](Nb[3,3,6]N[3,5]4N[6]Cl)(C[6]C[6]C)(H)	C[6](N[6]Nb[3,3,6]H)(C[6]C[6]H)(CC3)	H(N[6]Nb[3,3,6]C[6])	N[6](Nb[3,3,6]N[3,5]4N[6]Cl)(C[6]C[6]C)(H){1|H<1>,5|C<3>}	C[6](N[6]Nb[3,3,6]H)(C[6]C[6]H)(CC3){1|Cl<1>,1|C<4>,1|N<2>,4|N<3>}	H(N[6]Nb[3,3,6]C[6])	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	118.4410	5.932	12850	118.4483	5.920	13093
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6,6]	H	3:3:1:	3:4:3:	3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(N[6]C[6,6]C[6])	116.8445	0.893	2	116.8445	0.798	2	116.8445	0.798	2	116.8445	0.798	2	114.7543	5.592	7	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(N[6]C[6]H){1|H<1>,2|C<3>,3|C<4>}	H(N[6]C[6,6]C[6])	117.4410	0.000	1	117.4410	0.000	1	117.4410	0.000	1	113.9182	5.130	5	114.7543	5.592	7	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6]W)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|W<6>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6]W){2|C<4>,8|H<1>}	H(N[6]C[6,6]C[6])	112.5527	1.046	3	112.5527	1.094	3	113.0375	1.670	4	113.9182	5.130	5	114.7543	5.592	7	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Li)(N[6]C[6]H)	H(N[6]C[6,6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|Li<4>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Li)(N[6]C[6]H){2|C<4>,8|H<1>}	H(N[6]C[6,6]C[6])	114.4920	0.000	1	114.4920	0.000	1	113.0375	1.670	4	113.9182	5.130	5	114.7543	5.592	7	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:2:2:	3:	C[6]-3:N[6]-2:H-1:	N[6]-3:S[6]-2:N-2:	N[6]-3:	N[6](C[6]S[6]N)(N[6]C[6])(H)	C[6](N[6]N[6]H)(S[6]C[6])(NN)	H(N[6]C[6]N[6])	N[6](C[6]S[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	C[6](N[6]N[6]H)(S[6]C[6])(NN){1|C<3>,2|H<1>}	H(N[6]C[6]N[6])	115.9110	0.000	1	115.9110	0.000	1	115.9110	0.000	1	115.9110	0.000	1	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:2:	3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]C[6])	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]N[6])	118.4280	0.000	1	118.4280	0.000	1	114.5536	8.345	9	114.5536	8.345	9	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:2:	3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6])	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6]){1|Cl<1>,2|H<1>,3|C<3>}	H(N[6]C[6]N[6])	113.9280	0.000	1	116.3080	7.561	3	114.5536	8.345	9	114.5536	8.345	9	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:2:	3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6])	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6]){2|H<1>,4|C<3>}	H(N[6]C[6]N[6])	119.3180	0.000	1	116.3080	7.561	3	114.5536	8.345	9	114.5536	8.345	9	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:2:	3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6])	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6]){3|C<3>,3|H<1>}	H(N[6]C[6]N[6])	115.6780	0.000	1	116.3080	7.561	3	114.5536	8.345	9	114.5536	8.345	9	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:2:	3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6])	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6]){1|N<2>,2|C<3>,2|H<1>}	H(N[6]C[6]N[6])	112.6415	0.022	2	113.0415	2.900	4	114.5536	8.345	9	114.5536	8.345	9	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:2:	3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6])	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6]){2|H<1>,3|C<3>}	H(N[6]C[6]N[6])	113.4415	2.839	2	113.0415	2.900	4	114.5536	8.345	9	114.5536	8.345	9	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:2:1:	3:3:2:	3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]N[6a]2)(N[6]N[6]H)(N[6]N[6])	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|C<3>,1|N<3>,2|N<2>}	C[6](C[6a]N[6a]2)(N[6]N[6]H)(N[6]N[6]){1|H<1>,3|C<3>}	H(N[6]C[6]N[6])	111.4640	0.000	1	111.4640	0.000	1	114.5536	8.345	9	114.5536	8.345	9	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6](N[6]C[6,6a]H)(O[6]C[4,6])(O)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(O[6]C[4,6])(O){2|C<3>,2|C<4>}	H(N[6]C[6,6a]C[6])	114.8080	0.000	1	114.8080	0.000	1	114.8080	0.000	1	117.9500	17.139	3	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:H-1:	N[6]-3:	N[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(H)	H(N[6]C[6]2)	N[6](C[6]N[6]H)2(H){1|C<4>}	C[6](N[6]C[6]H)(N[6]C[6])(H){1|C<4>,1|N<2>,2|H<1>}	H(N[6]C[6]2)	119.5210	4.412	2	119.5210	19.469	2	119.5210	19.469	2	117.9500	17.139	3	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){2|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|N<3>}	H(N[6]C[6]2)	117.9770	0.000	1	117.9770	0.000	1	117.9770	0.000	1	117.9770	0.000	1	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	127.5480	0.000	1	127.5480	0.000	1	127.5480	0.000	1	127.6823	96.593	3	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	117.9220	0.000	1	117.9220	0.000	1	127.7495	193.160	2	127.6823	96.593	3	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	H(N[6]C[6]2)	137.5770	0.000	1	137.5770	0.000	1	127.7495	193.160	2	127.6823	96.593	3	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6])	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H){1|H<1>,2|S<2>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	118.0760	0.000	1	118.0760	0.000	1	118.0760	0.000	1	113.3584	21.286	7	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6])	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	112.2690	0.000	1	112.2690	0.000	1	112.2690	0.000	1	113.3584	21.286	7	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6])	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<2>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]){2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	117.1870	0.478	2	117.1870	0.228	2	117.1870	0.228	2	113.3584	21.286	7	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6a]N[6])2(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6])	H(N[6]C[6]2)	N[6](C[6]C[6a]N[6])2(H){1|S<2>,2|C<3>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6]){1|H<1>,1|N<2>,3|C<3>}	H(N[6]C[6]2)	110.7365	4.948	2	110.7365	24.479	2	110.7365	24.479	2	113.3584	21.286	7	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](C[6]C[6]N[6])(N[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]H)(N[6]N[6])	H(N[6]C[6]N[6])	N[6](C[6]C[6]N[6])(N[6]C[6]C)(H){1|C<3>,1|O<1>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]H)(N[6]N[6]){2|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]N[6])	107.3170	0.000	1	107.3170	0.000	1	107.3170	0.000	1	113.3584	21.286	7	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6]2)	96.2142	0.000	1	96.2142	0.000	1	96.2142	0.000	1	96.2142	0.000	1	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6,6]C[6])	115.5560	0.180	2	115.5560	0.032	2	115.5560	0.032	2	113.6030	52.140	6	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	H(N[6]C[6]2)	102.9580	0.000	1	102.9580	0.000	1	112.6265	83.074	4	113.6030	52.140	6	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CFHH)	H(N[6]C[6]2)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CFHH){1|N<2>,2|C<3>,2|N<3>}	H(N[6]C[6]2)	115.8510	0.000	1	115.8510	0.000	1	112.6265	83.074	4	113.6030	52.140	6	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	H(N[6]C[6]2)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	115.8485	11.162	2	115.8485	124.583	2	112.6265	83.074	4	113.6030	52.140	6	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[5,6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H){2|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(O){3|C<4>,3|H<1>}	H(N[6]C[6]2)	116.3270	0.000	1	116.3270	0.000	1	116.3270	0.000	1	116.3270	0.000	1	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	H(N[6]C[6]2)	115.6120	0.000	1	115.6120	0.000	1	115.6120	0.000	1	115.6120	0.000	1	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	2:3:1:	3:	C[6]-4:C[6]-3:H-1:	O[6]-2:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]HN)(C[6]O[6]O)(H)	C[6](O[6]C[6,6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]HN)(C[6]O[6]O)(H){2|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	H(N[6]C[6]2)	111.5730	0.000	1	111.5730	0.000	1	111.5730	0.000	1	111.5730	0.000	1	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O)	H(N[6]C[3,6]C[6])	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O){1|H<1>,2|C<4>,3|C<3>}	H(N[6]C[3,6]C[6])	111.8620	0.000	1	111.8620	0.000	1	111.8620	0.000	1	115.4385	6.082	13	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[4,6]C[4,6]2H)(C[6]N[6]O)(H)	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O)	H(N[6]C[4,6]C[6])	N[6](C[4,6]C[4,6]2H)(C[6]N[6]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	H(N[6]C[4,6]C[6])	115.9670	0.000	1	115.9670	0.000	1	115.9670	0.000	1	115.4385	6.082	13	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	H(N[6]C[6,6]C[6])	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(N[6]C[6,6]C[6])	118.0320	0.000	1	118.0320	0.000	1	118.0320	0.000	1	115.4385	6.082	13	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[5a]C[6a]N[6])(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[5a]C[6a]N[6])(C[6]C[6,6a]O)(H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,4|C<3>}	H(N[6]C[6]2)	118.0760	0.000	1	118.0760	0.000	1	118.0760	0.000	1	115.4385	6.082	13	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(N[6]C[6]2)	115.6850	0.000	1	115.6850	0.000	1	114.3285	3.680	2	115.4385	6.082	13	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]S[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]S[6]CC)(C[6]C[6]O)(H){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,1|S<2>,2|C<4>}	H(N[6]C[6]2)	112.9720	0.000	1	112.9720	0.000	1	114.3285	3.680	2	115.4385	6.082	13	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O){2|C<3>,2|C<4>}	H(N[6]C[6]2)	113.6310	0.000	1	113.6310	0.000	1	115.4437	6.681	7	115.4385	6.082	13	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]O[6]C)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,1|O<2>}	C[6](N[6]C[6]H)(N[6]O[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	H(N[6]C[6]2)	114.7475	2.689	2	114.7475	7.231	2	115.4437	6.681	7	115.4385	6.082	13	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CO)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CO)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(N[6]C[6]2)	117.8950	3.005	2	117.8950	9.031	2	115.4437	6.681	7	115.4385	6.082	13	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	112.8470	0.000	1	112.8470	0.000	1	115.4437	6.681	7	115.4385	6.082	13	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	H(N[6]C[6]2)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]2)	116.3430	0.000	1	116.3430	0.000	1	115.4437	6.681	7	115.4385	6.082	13	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	S[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O)	H(N[6]C[6]S[6])	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O){2|C<3>,2|O<1>}	H(N[6]C[6]S[6])	114.3565	1.699	4	114.3565	2.886	4	115.1970	2.861	7	115.1970	2.861	7	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	3:3:3:	3:	S[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CNO)	H(N[6]C[6]S[6])	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CNO){2|C<3>,2|O<1>}	H(N[6]C[6]S[6])	116.3177	0.978	3	116.3177	0.957	3	115.1970	2.861	7	115.1970	2.861	7	115.4171	32.756	55	115.3422	29.592	62
856	762	951	0:SP3_SP-NON_SP2	N[6]	C[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(N[6]C[6]2)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(N[6]C[6]2)	124.2400	0.000	1	124.2400	0.000	1	124.2400	0.000	1	124.2400	0.000	1	115.4171	32.756	55	115.3422	29.592	62