818	490	852	0:SP2_SP3_SP3	C[5]	C	P[3,5]	3:2:4:	3:4:4:4:	3:3:3:	P[3,5]-3:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	N[3]-3:P[3,5]-3:C[5]-3:	C[5](P[3,5]P[3,5]N[3])(P[5]N[5])(CC3)	C(C[5]P[3,5]P[5])(CH3)3	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]P[5]C)	C[5](P[3,5]P[3,5]N[3])(P[5]N[5])(CC3){2|C<3>}	C(C[5]P[3,5]P[5])(CH3)3	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]P[5]C){3|C<3>}	118.2940	0.000	1	118.2940	0.000	1	118.2940	0.000	1	118.2940	0.000	1	116.2906	1.322	5	116.2906	1.322	5
818	490	852	0:SP2_SP3_SP3	C[5]	C	P[3,5]	3:2:4:	3:4:4:4:	3:4:3:	P[3,5]-3:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	P[3,5]-3:C[3]-4:C[5]-3:	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3)	C(C[5]P[3,5]P[5])(CH3)3	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]C)	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3){2|C<4>,2|H<1>}	C(C[5]P[3,5]P[5])(CH3)3	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]C){1|C<4>,1|H<1>}	115.8920	0.000	1	115.8920	0.000	1	115.8920	0.000	1	115.8920	0.000	1	116.2906	1.322	5	116.2906	1.322	5
818	490	852	0:SP2_SP3_SP3	C[5]	C	P[3,5]	3:2:4:	3:4:4:4:	4:3:3:	P[3,5]-3:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[3,5]-4:P[3,5,5]-3:C[5]-3:	C[5](P[3,5]P[3,5,5]C[3,5])(P[5]C[5,5])(CC3)	C(C[5]P[3,5]P[5])(CH3)3	P[3,5](C[3,5]P[3,5,5]P[4,5]C)(P[3,5,5]C[3,5]C[5,5])(C[5]P[5]C)	C[5](P[3,5]P[3,5,5]C[3,5])(P[5]C[5,5])(CC3){2|C<4>,2|P<3>}	C(C[5]P[3,5]P[5])(CH3)3	P[3,5](C[3,5]P[3,5,5]P[4,5]C)(P[3,5,5]C[3,5]C[5,5])(C[5]P[5]C){1|C<3>,1|C<4>,1|P<3>}	115.5835	0.282	2	115.5835	0.080	2	115.5835	0.080	2	115.5835	0.080	2	116.2906	1.322	5	116.2906	1.322	5
818	490	852	0:SP2_SP3_SP3	C[5]	C	P[3,5]	3:3:4:	3:4:4:4:	4:4:3:	P[3,5]-3:C[5,6]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[3,5,6]-4:C[3,6]-4:C[5]-3:	C[5](P[3,5]C[3,5,6]C[3,6])(C[5,6]N[5,6]N[6])(CC3)	C(C[5]C[5,6]P[3,5])(CH3)3	P[3,5](C[3,5,6]C[3,6]N[5,6]C[6])(C[3,6]C[3,5,6]C[6]C)(C[5]C[5,6]C)	C[5](P[3,5]C[3,5,6]C[3,6])(C[5,6]N[5,6]N[6])(CC3){1|C<4>,5|C<3>}	C(C[5]C[5,6]P[3,5])(CH3)3	P[3,5](C[3,5,6]C[3,6]N[5,6]C[6])(C[3,6]C[3,5,6]C[6]C)(C[5]C[5,6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	116.1000	0.000	1	116.1000	0.000	1	116.1000	0.000	1	116.1000	0.000	1	116.2906	1.322	5	116.2906	1.322	5
818	490	882	0:SP2_SP3_SP3	C[5,6]	C	P[4,5,5,6]	3:3:4:	3:4:4:4:	4:3:3:	P[4,5,5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:C-4:C-4:C-4:	C[4,4,5,5]-4:P[3,4,5,6]-3:C[5,6]-3:	C[5,6](P[4,5,5,6]C[4,4,5,5]P[3,4,5,6])(C[5,6]P[4,5,5,6]C)(CC3)	C(C[5,6]P[4,5,5,6]C[5,6])(CH3)3	P[4,5,5,6](C[4,4,5,5]P[4,5,5,6]P[3,4,4]C)(P[3,4,5,6]C[3,4,5,6]P[3,4,4])(C[5,6]C[5,6]C)	C[5,6](P[4,5,5,6]C[4,4,5,5]P[3,4,5,6])(C[5,6]P[4,5,5,6]C)(CC3){1|H<1>,1|P<3>,2|C<4>}	C(C[5,6]P[4,5,5,6]C[5,6])(CH3)3	P[4,5,5,6](C[4,4,5,5]P[4,5,5,6]P[3,4,4]C)(P[3,4,5,6]C[3,4,5,6]P[3,4,4])(C[5,6]C[5,6]C){1|H<1>,2|C<4>}	108.3000	0.000	1	108.3000	0.000	1	108.3000	0.000	1	108.3000	0.000	1	108.3000	0.000	1	108.3000	0.000	1
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:1:1:1:	3:3:	C[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5])(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]N)	C[5](C[5]N[5])(S[5]C[5])(CH3){1|H<1>,1|N<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]N){1|H<1>}	119.9150	0.000	1	119.9150	0.000	1	119.9150	0.000	1	121.8895	0.771	45	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:	C[5](N[5]N[5,5])(S[5]C[5,5])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5,5]N[5,5]N[5])(C[5]N[5]C)	C[5](N[5]N[5,5])(S[5]C[5,5])(CH3){1|C<3>,1|N<3>}	C(C[5]N[5]S[5])(H)3	S[5](C[5,5]N[5,5]N[5])(C[5]N[5]C){1|Cd<6>,1|C<3>,1|N<2>}	120.6410	0.000	1	120.4473	0.201	3	120.4473	0.201	3	121.8895	0.771	45	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:	C[5](N[5]N[5,5])(S[5]C[5,5])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5,5]N[5,5]N[5])(C[5]N[5]C)	C[5](N[5]N[5,5])(S[5]C[5,5])(CH3){1|C<3>,1|N<3>}	C(C[5]N[5]S[5])(H)3	S[5](C[5,5]N[5,5]N[5])(C[5]N[5]C){1|Cu<4>,1|C<3>,1|N<2>}	119.9350	0.000	1	120.4473	0.201	3	120.4473	0.201	3	121.8895	0.771	45	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:	C[5](N[5]N[5,5])(S[5]C[5,5])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5,5]N[5,5]N[5])(C[5]N[5]C)	C[5](N[5]N[5,5])(S[5]C[5,5])(CH3){1|C<3>,1|N<3>}	C(C[5]N[5]S[5])(H)3	S[5](C[5,5]N[5,5]N[5])(C[5]N[5]C){1|Ni<4>,1|C<3>,1|N<2>}	120.7660	0.000	1	120.4473	0.201	3	120.4473	0.201	3	121.8895	0.771	45	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5])(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5]N[5]C)(C[5]N[5]N)	C[5](N[5]N[5])(S[5]C[5])(CH3){1|Co<4>,1|N<3>}	C(C[5]N[5]S[5])(H)3	S[5](C[5]N[5]C)(C[5]N[5]N){1|Co<4>}	121.1050	0.167	2	121.7347	0.337	27	122.0431	0.560	41	121.8895	0.771	45	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5])(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5]N[5]C)(C[5]N[5]N)	C[5](N[5]N[5])(S[5]C[5])(CH3){1|H<1>,1|N<2>}	C(C[5]N[5]S[5])(H)3	S[5](C[5]N[5]C)(C[5]N[5]N){1|H<1>}	121.7607	0.603	22	121.7347	0.337	27	122.0431	0.560	41	121.8895	0.771	45	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5])(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5]N[5]C)(C[5]N[5]N)	C[5](N[5]N[5])(S[5]C[5])(CH3){1|Pd<4>,1|N<3>}	C(C[5]N[5]S[5])(H)3	S[5](C[5]N[5]C)(C[5]N[5]N){1|Pd<4>}	122.2010	0.000	1	121.7347	0.337	27	122.0431	0.560	41	121.8895	0.771	45	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5])(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5]N[5]C)(C[5]N[5]N)	C[5](N[5]N[5])(S[5]C[5])(CH3){1|Pt<4>,1|N<3>}	C(C[5]N[5]S[5])(H)3	S[5](C[5]N[5]C)(C[5]N[5]N){1|Pt<4>}	121.8455	0.258	2	121.7347	0.337	27	122.0431	0.560	41	121.8895	0.771	45	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5])(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5]N[5]C)(C[5]N[5]S)	C[5](N[5]N[5])(S[5]C[5])(CH3){1|B<4>,1|S<1>}	C(C[5]N[5]S[5])(H)3	S[5](C[5]N[5]C)(C[5]N[5]S){1|B<4>}	122.7450	0.628	4	122.6380	0.470	14	122.0431	0.560	41	121.8895	0.771	45	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5])(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5]N[5]C)(C[5]N[5]S)	C[5](N[5]N[5])(S[5]C[5])(CH3){1|B<4>,1|S<2>}	C(C[5]N[5]S[5])(H)3	S[5](C[5]N[5]C)(C[5]N[5]S){1|B<4>}	122.5870	0.813	8	122.6380	0.470	14	122.0431	0.560	41	121.8895	0.771	45	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5])(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5]N[5]C)(C[5]N[5]S)	C[5](N[5]N[5])(S[5]C[5])(CH3){1|C<3>,1|S<1>}	C(C[5]N[5]S[5])(H)3	S[5](C[5]N[5]C)(C[5]N[5]S){1|C<3>}	122.6280	0.484	2	122.6380	0.470	14	122.0431	0.560	41	121.8895	0.771	45	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](N[5]C[5,6])(S[5]C[5,6])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)	C[5](N[5]C[5,6])(S[5]C[5,6])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]N[5]S[5])(H)3	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	117.7315	0.276	2	117.7315	0.076	2	117.9007	0.124	3	117.7593	0.163	4	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](N[5]C[5,6])(S[5]C[5,6])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)	C[5](N[5]C[5,6])(S[5]C[5,6])(CH3){1|C<3>,1|H<1>,2|O<2>}	C(C[5]N[5]S[5])(H)3	S[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C){1|O<2>,2|C<3>}	118.2390	0.000	1	118.2390	0.000	1	117.9007	0.124	3	117.7593	0.163	4	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5]C[5]HO)(C[5]N[5]C)	C[5](N[5]C[5])(S[5]C[5])(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]N[5]S[5])(H)3	S[5](C[5]C[5]HO)(C[5]N[5]C){2|C<4>}	117.3350	0.000	1	117.3350	0.000	1	117.3350	0.000	1	117.7593	0.163	4	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:3:1:1:	4:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[4,5]-4:C[5]-3:	C[5](N[5]C[4,5])(S[5]C[4,5])(CC[6a]HH)	C(C[5]N[5]S[5])(C[6a]C[6a]2)(H)2	S[5](C[4,5]C[4,5]N[4]H)(C[5]N[5]C)	C[5](N[5]C[4,5])(S[5]C[4,5])(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	C(C[5]N[5]S[5])(C[6a]C[6a]2)(H)2	S[5](C[4,5]C[4,5]N[4]H)(C[5]N[5]C){1|H<1>,2|C<3>}	117.1250	0.000	1	117.1250	0.000	1	117.1250	0.000	1	117.3263	0.152	3	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:3:1:1:	4:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(S[5]C[5])(CHHN)	C(C[5]N[5]S[5])(NCC)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5])(S[5]C[5])(CHHN){1|C<3>,1|O<2>,2|H<1>}	C(C[5]N[5]S[5])(NCC)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]C){1|C<3>,1|O<2>}	117.0790	0.000	1	117.0790	0.000	1	117.0790	0.000	1	117.3263	0.152	3	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:3:1:1:	4:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:P-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(S[5]C[5])(CHHP)	C(C[5]N[5]S[5])(PC[6a]2)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5])(S[5]C[5])(CHHP){4|H<1>}	C(C[5]N[5]S[5])(PC[6a]2)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]C){2|H<1>}	117.7750	0.000	1	117.7750	0.000	1	117.7750	0.000	1	117.3263	0.152	3	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:4:1:1:	3:2:	N[5]-2:S[5]-2:C-4:	C[5]-3:C-4:F-1:F-1:	C[5]-3:S[5]-2:	C[5](N[5]S[5])(S[5]S[5])(CCFF)	C(C[5]N[5]S[5])(CCFF)(F)2	S[5](C[5]N[5]C)(S[5]S[5])	C[5](N[5]S[5])(S[5]S[5])(CCFF)	C(C[5]N[5]S[5])(CCFF)(F)2	S[5](C[5]N[5]C)(S[5]S[5])	116.2540	0.000	1	116.2540	0.000	1	116.2567	0.041	3	116.2567	0.041	3	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:4:1:1:	3:2:	N[5]-2:S[5]-2:C-4:	C[5]-3:C-4:F-1:F-1:	C[5]-3:S[5]-2:	C[5](N[5]S[5])(S[5]S[5])(CCFF)	C(C[5]N[5]S[5])(CC[5]FF)(F)2	S[5](C[5]N[5]C)(S[5]S[5])	C[5](N[5]S[5])(S[5]S[5])(CCFF)	C(C[5]N[5]S[5])(CC[5]FF)(F)2	S[5](C[5]N[5]C)(S[5]S[5])	116.0550	0.000	1	116.0550	0.000	1	116.2567	0.041	3	116.2567	0.041	3	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:4:1:1:	3:2:	N[5]-2:S[5]-2:C-4:	C[5]-3:C-4:F-1:F-1:	C[5]-3:S[5]-2:	C[5](N[5]S[5])(S[5]S[5])(CCFF)	C(C[5]N[5]S[5])(CF3)(F)2	S[5](C[5]N[5]C)(S[5]S[5])	C[5](N[5]S[5])(S[5]S[5])(CCFF)	C(C[5]N[5]S[5])(CF3)(F)2	S[5](C[5]N[5]C)(S[5]S[5])	116.4610	0.000	1	116.4610	0.000	1	116.2567	0.041	3	116.2567	0.041	3	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:4:1:1:	3:3:	C[5]-2:S[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5]-3:	C[5](C[5]C[5,5a])(S[5]C[5,5a])(CCHH)	C(C[5]C[5]S[5])(CCHH)(H)2	S[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)	C[5](C[5]C[5,5a])(S[5]C[5,5a])(CCHH){1|C<3>,1|S<2>}	C(C[5]C[5]S[5])(CCHH)(H)2	S[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C){2|C<3>}	120.6848	1.336	4	120.6848	1.785	4	120.6848	1.785	4	121.0752	1.437	6	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	2:2:4:	3:4:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5])(S[5]C[5])(CCHH)	C(C[5]N[5]S[5])(CCHH)(H)2	S[5](C[5]N[5]C)(C[5]N[5]N)	C[5](N[5]N[5])(S[5]C[5])(CCHH){1|Zn<4>,1|N<3>}	C(C[5]N[5]S[5])(CCHH)(H)2	S[5](C[5]N[5]C)(C[5]N[5]N){1|Zn<4>}	121.8560	0.028	2	121.8560	0.001	2	121.8560	0.001	2	121.0752	1.437	6	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:	C[5](C[5]C[5]H)(S[5]S[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(S[5]C[5])	C[5](C[5]C[5]H)(S[5]S[5])(CH3){1|S<2>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(S[5]C[5]){1|H<1>,1|S<2>}	117.1615	0.977	2	117.1615	0.954	2	117.1615	0.954	2	117.1615	0.954	2	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]H)(S[5]C[5])(CF3)	C(C[5]C[5]S[5])(F)3	S[5](C[5]C[5]S[5])(C[5]C[5]C)	C[5](C[5]S[5]H)(S[5]C[5])(CF3){1|C<3>}	C(C[5]C[5]S[5])(F)3	S[5](C[5]C[5]S[5])(C[5]C[5]C){1|H<1>,2|S<2>}	117.5880	0.008	2	117.5880	0.000	2	117.5880	0.000	2	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:	C[5](C[5]N[5,5]H)(S[5]C[5,5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5,5]C[5,6a]N[5,5])(C[5]C[5]C)	C[5](C[5]N[5,5]H)(S[5]C[5,5])(CH3){1|B<4>,1|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5,5]C[5,6a]N[5,5])(C[5]C[5]C){1|B<4>,1|H<1>,2|C<3>}	123.5720	0.000	1	123.5720	0.000	1	123.5720	0.000	1	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5]-3:	C[5](C[5]N[5,5a]C[6a])(S[5]C[5,5a])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5,5a]N[5,5a]N[5a,6])(C[5]C[5]C)	C[5](C[5]N[5,5a]C[6a])(S[5]C[5,5a])(CH3){1|N<3>,3|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5,5a]N[5,5a]N[5a,6])(C[5]C[5]C){1|C<4>,3|C<3>}	117.3110	0.000	1	117.3110	0.000	1	117.3110	0.000	1	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:	C[5](C[5]C[5,6]H)(S[5]C[5,6])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)	C[5](C[5]C[5,6]H)(S[5]C[5,6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]S[5])(H)3	S[5](C[5,6]C[5,6]C[6])(C[5]C[5]C){2|C<4>,3|H<1>}	118.3570	0.000	1	118.3570	0.000	1	120.2427	3.251	3	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:	C[5](C[5]N[5,6]C)(S[5]C[5,6])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5,6]N[5,6]N[6])(C[5]C[5]C)	C[5](C[5]N[5,6]C)(S[5]C[5,6])(CH3){1|B<4>,1|N<2>}	C(C[5]C[5]S[5])(H)3	S[5](C[5,6]N[5,6]N[6])(C[5]C[5]C){1|B<4>,1|C<3>,1|C<4>}	120.4210	0.000	1	120.4210	0.000	1	120.2427	3.251	3	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:	C[5](C[5]N[5,6]H)(S[5]C[5,6])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5,6]N[5,6]N[6])(C[5]C[5]C)	C[5](C[5]N[5,6]H)(S[5]C[5,6])(CH3){1|B<4>,1|N<2>}	C(C[5]C[5]S[5])(H)3	S[5](C[5,6]N[5,6]N[6])(C[5]C[5]C){1|B<4>,1|C<3>,1|H<1>}	121.9500	0.000	1	121.9500	0.000	1	120.2427	3.251	3	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](C[5]N[5,6a]C)(S[5]C[5,6a])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)	C[5](C[5]N[5,6a]C)(S[5]C[5,6a])(CH3){2|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C){1|C<4>,3|C<3>}	118.6545	0.387	2	118.6545	0.150	2	118.6545	0.150	2	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]N)	C[5](C[5]C[5]N[5])(S[5]C[5])(CH3){1|C<3>,1|H<1>,2|N<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]N){1|C<3>,1|H<1>}	120.9865	0.378	2	120.9865	0.143	2	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]S[5])(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C)	C[5](C[5]C[5]S[5])(S[5]C[5])(CH3){1|C<4>,2|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C){1|C<3>,2|S<2>}	116.3100	0.000	1	116.3100	0.000	1	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]N)	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]N){1|C<3>,1|C<4>}	119.8640	0.000	1	119.4355	0.367	2	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]N)	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]N){1|C<3>,1|H<1>}	119.0070	0.000	1	119.4355	0.367	2	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[6a]O[5])(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]O[5]C)	C[5](C[5]C[6a]O[5])(S[5]C[5])(CH3){3|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]O[5]C){1|C<3>}	117.6160	0.000	1	117.6160	0.000	1	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[6a]S[5])(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C)	C[5](C[5]C[6a]S[5])(S[5]C[5])(CH3){3|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C){1|C<3>,2|S<2>}	115.6522	0.331	5	115.6522	0.109	5	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]C)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]C){2|C<4>}	119.9307	0.779	3	120.4244	0.419	7	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]C)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Fe<4>,1|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]C){1|Fe<4>,1|C<4>}	120.7355	0.012	2	120.4244	0.419	7	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]C)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Fe<5>,1|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]C){1|Fe<5>,1|C<4>}	120.8540	0.085	2	120.4244	0.419	7	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]H)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]H){1|C<3>,1|C<4>}	121.1840	0.000	1	121.0990	0.645	4	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]H)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]H){2|C<4>}	121.2800	1.290	2	121.0990	0.645	4	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]H)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Re<6>,1|H<1>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]H){1|Re<6>,1|C<4>}	120.6520	0.000	1	121.0990	0.645	4	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]P)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<4>,1|P<2>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]P){2|C<4>}	120.3500	0.000	1	120.9247	0.485	3	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]P)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<4>,1|P<4>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]P){2|C<4>}	121.2120	0.689	2	120.9247	0.485	3	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]S)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<3>,1|S<1>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]S){1|C<3>,1|C<4>}	120.4290	0.000	1	120.8515	0.357	2	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]S)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|O<2>,1|S<1>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]S){1|C<4>,1|O<2>}	121.2740	0.000	1	120.8515	0.357	2	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]N[5]Rh)(C[5]C[5]C)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Rh<8>,1|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]N[5]Rh)(C[5]C[5]C){1|C<3>,1|C<4>}	120.2920	0.000	1	120.5035	0.089	2	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]N[5]Rh)(C[5]C[5]C)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Rh<9>,1|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]N[5]Rh)(C[5]C[5]C){1|C<3>,1|C<4>}	120.7150	0.000	1	120.5035	0.089	2	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]H)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]N)	C[5](C[5]N[5]H)(S[5]C[5])(CH3){1|H<1>,1|N<2>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]N){2|H<1>}	120.2738	0.291	5	120.4559	0.288	22	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]H)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]N)	C[5](C[5]N[5]H)(S[5]C[5])(CH3){1|H<1>,1|N<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]N){2|H<1>}	120.5095	0.586	17	120.4559	0.288	22	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]S[5]C)	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|C<3>,1|W<6>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]S[5]C){1|C<4>,1|W<6>}	116.2100	0.000	1	115.7711	0.441	38	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]S[5]C)	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]S[5]C){1|C<4>}	115.7592	0.669	37	115.7711	0.441	38	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]S[5]S)	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|S<2>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]S[5]S){1|C<4>}	118.3770	0.560	2	118.3770	0.314	2	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C)	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C){1|C<2>,2|S<2>}	117.0332	0.923	15	115.8918	1.584	176	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C)	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C){1|C<3>,2|S<2>}	115.5970	0.000	1	115.8918	1.584	176	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C)	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C){1|C<4>,2|S<2>}	115.7867	1.238	160	115.8918	1.584	176	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[6a]S[5])(C[5]C[5]C)	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[6a]S[5])(C[5]C[5]C){1|C<4>,2|C<3>}	115.8203	3.381	8	115.8203	11.430	8	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]H)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C)	C[5](C[5]S[5]H)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C){1|H<1>,2|S<2>}	117.5421	1.340	9	117.5421	1.795	9	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]I)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C)	C[5](C[5]S[5]I)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C){1|I<1>,2|S<2>}	118.0475	2.672	4	118.0475	7.137	4	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]S)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]S[5]C)	C[5](C[5]S[5]S)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]S[5]C){1|S<2>}	119.6705	0.275	2	119.6705	0.076	2	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]S)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C)	C[5](C[5]S[5]S)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C){1|S<3>,2|S<2>}	115.7340	0.000	1	116.0825	0.615	4	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]S)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C)	C[5](C[5]S[5]S)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C){3|S<2>}	116.1987	0.917	3	116.0825	0.615	4	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]S)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[6a]S[5])(C[5]C[5]C)	C[5](C[5]S[5]S)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[6a]S[5])(C[5]C[5]C){1|S<2>,2|C<3>}	116.0755	0.941	4	116.0755	0.885	4	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]Sb)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C)	C[5](C[5]S[5]Sb)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5]C[5]S[5])(C[5]C[5]C){1|Sb<3>,2|S<2>}	116.2210	0.000	1	116.2210	0.000	1	116.6881	4.299	299	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CH3){2|C<3>}	C(C[5]N[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	121.3060	0.000	1	121.3060	0.000	1	120.0417	2.229	8	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Os)(S[5]C[5,6a])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a]Os)(S[5]C[5,6a])(CH3){2|C<3>}	C(C[5]N[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Os<5>,1|H<1>,2|C<3>}	117.1630	0.000	1	118.0020	1.408	2	120.0417	2.229	8	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Os)(S[5]C[5,6a])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a]Os)(S[5]C[5,6a])(CH3){2|C<3>}	C(C[5]N[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Os<6>,1|H<1>,2|C<3>}	118.8410	0.000	1	118.0020	1.408	2	120.0417	2.229	8	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Pt)(S[5]C[5,6a])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a]Pt)(S[5]C[5,6a])(CH3){2|C<3>}	C(C[5]N[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Pt<4>,1|H<1>,2|C<3>}	121.1220	0.586	3	121.1220	0.343	3	120.0417	2.229	8	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Zn)(S[5]C[5,6a])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a]Zn)(S[5]C[5,6a])(CH3){2|C<3>}	C(C[5]N[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Zn<4>,1|H<1>,2|C<3>}	119.8290	0.008	2	119.8290	0.000	2	120.0417	2.229	8	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5]Fe)(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]Fe)(S[5]C[5])(CH3){1|C<3>,1|H<1>}	C(C[5]N[5]S[5])(H)3	S[5](C[5]C[5]H)(C[5]N[5]C){1|Fe<6>,1|C<3>}	119.9794	0.509	8	119.9794	0.260	8	120.8993	4.652	21	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5]H)(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]H)(S[5]C[5])(CH3){2|H<1>}	C(C[5]N[5]S[5])(H)3	S[5](C[5]C[5]H)(C[5]N[5]C){2|H<1>}	124.9910	0.000	1	124.9910	0.000	1	120.8993	4.652	21	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5]Hg)(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]Hg)(S[5]C[5])(CH3){1|C<3>,1|H<1>}	C(C[5]N[5]S[5])(H)3	S[5](C[5]C[5]H)(C[5]N[5]C){1|Hg<4>,1|C<3>}	123.1593	0.927	4	123.1593	0.859	4	120.8993	4.652	21	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5]O)(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]C)	C[5](N[5]C[5]O)(S[5]C[5])(CH3){1|C<3>,1|C<4>}	C(C[5]N[5]S[5])(H)3	S[5](C[5]C[5]C)(C[5]N[5]C){1|C<4>,1|O<1>}	125.5550	0.000	1	125.5550	0.000	1	120.8993	4.652	21	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5]Pd)(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]Pd)(S[5]C[5])(CH3){1|C<3>,1|H<1>}	C(C[5]N[5]S[5])(H)3	S[5](C[5]C[5]H)(C[5]N[5]C){1|Pd<4>,1|C<3>}	119.0860	0.767	2	119.0860	0.588	2	120.8993	4.652	21	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5]Ru)(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]Ru)(S[5]C[5])(CH3){2|H<1>}	C(C[5]N[5]S[5])(H)3	S[5](C[5]C[5]H)(C[5]N[5]C){1|Ru<6>,1|H<1>}	118.9930	0.466	4	118.9930	0.217	4	120.8993	4.652	21	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]Ni)(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	S[5](C[5]N[5]C)(C[5]N[5]S)	C[5](N[5]N[5]Ni)(S[5]C[5])(CH3){1|S<2>}	C(C[5]N[5]S[5])(H)3	S[5](C[5]N[5]C)(C[5]N[5]S){1|Ni<6>}	121.7230	0.000	1	121.7230	0.000	1	120.8993	4.652	21	117.1011	5.644	337	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5](C[5]C[5,5]C)(S[5]C[5,5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)	C[5](C[5]C[5,5]C)(S[5]C[5,5])(CH3){1|Zr<11>,2|C<4>}	C(C[5]C[5]S[5])(H)3	S[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C){1|C<3>,3|C<4>}	116.9940	0.000	1	116.9940	0.000	1	118.1480	1.213	4	118.0207	0.781	6	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5](C[5]C[5,5]C[6a])(S[5]C[5,5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)	C[5](C[5]C[5,5]C[6a])(S[5]C[5,5])(CH3){1|Zr<13>,2|C<3>,2|C<4>}	C(C[5]C[5]S[5])(H)3	S[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C){1|Si<5>,1|C<3>,2|C<4>}	118.0975	0.852	2	118.0975	0.726	2	118.1480	1.213	4	118.0207	0.781	6	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5](C[5]C[5,5]H)(S[5]C[5,5])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C)	C[5](C[5]C[5,5]H)(S[5]C[5,5])(CH3){1|Ti<8>,2|C<4>}	C(C[5]C[5]S[5])(H)3	S[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C){1|Si<4>,1|H<1>,2|C<4>}	119.4030	0.000	1	119.4030	0.000	1	118.1480	1.213	4	118.0207	0.781	6	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](C[5]C[5,6]H)(S[5]C[5,6])(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5,6]C[5,6]2C)(C[5]C[5]C)	C[5](C[5]C[5,6]H)(S[5]C[5,6])(CH3){1|C<3>,2|C<4>}	C(C[5]C[5]S[5])(H)3	S[5](C[5,6]C[5,6]2C)(C[5]C[5]C){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	117.7660	0.269	2	117.7660	0.072	2	117.7660	0.072	2	118.0207	0.781	6	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:2:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]C)(S[5]C[5])(CHHO)	C(C[5]C[5]S[5])(OC[6a])(H)2	S[5](C[5]C[5]C)(C[5]S[5]S)	C[5](C[5]S[5]C)(S[5]C[5])(CHHO){1|S<1>}	C(C[5]C[5]S[5])(OC[6a])(H)2	S[5](C[5]C[5]C)(C[5]S[5]S){1|C<4>}	117.4805	1.086	8	117.4805	1.179	8	116.7612	1.431	22	116.6028	1.230	32	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:2:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]C)(S[5]C[5])(CHHO)	C(C[5]C[5]S[5])(OC[6a])(H)2	S[5](C[5]C[5]S[5])(C[5]C[5]C)	C[5](C[5]S[5]C)(S[5]C[5])(CHHO){1|C<3>}	C(C[5]C[5]S[5])(OC[6a])(H)2	S[5](C[5]C[5]S[5])(C[5]C[5]C){1|C<4>,2|S<2>}	116.8310	1.086	6	116.8310	1.180	6	116.7612	1.431	22	116.6028	1.230	32	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:2:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]C)(S[5]C[5])(CHHO)	C(C[5]C[5]S[5])(OH)(H)2	S[5](C[5]C[5]S[5])(C[5]C[5]C)	C[5](C[5]S[5]C)(S[5]C[5])(CHHO){1|C<3>}	C(C[5]C[5]S[5])(OH)(H)2	S[5](C[5]C[5]S[5])(C[5]C[5]C){1|C<4>,2|S<2>}	115.9895	0.997	8	115.9895	0.993	8	116.7612	1.431	22	116.6028	1.230	32	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:2:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:S-2:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]C)(S[5]C[5])(CHHS)	C(C[5]C[5]S[5])(SC)(H)2	S[5](C[5]C[5]C)(C[5]S[5]S)	C[5](C[5]S[5]C)(S[5]C[5])(CHHS){1|S<1>}	C(C[5]C[5]S[5])(SC)(H)2	S[5](C[5]C[5]C)(C[5]S[5]S){1|C<4>}	117.0125	0.764	4	117.0125	0.584	4	116.2544	0.703	10	116.6028	1.230	32	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:2:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:S-2:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]C)(S[5]C[5])(CHHS)	C(C[5]C[5]S[5])(SC)(H)2	S[5](C[5]C[5]S[5])(C[5]C[5]C)	C[5](C[5]S[5]C)(S[5]C[5])(CHHS){1|C<3>}	C(C[5]C[5]S[5])(SC)(H)2	S[5](C[5]C[5]S[5])(C[5]C[5]C){1|C<4>,2|S<2>}	115.7490	0.385	6	115.7490	0.148	6	116.2544	0.703	10	116.6028	1.230	32	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C(C[5]C[5]S[5])(COO)(H)2	S[5](C[5]C[5]C)(C[5]N[5]S)	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|H<1>,1|S<1>}	C(C[5]C[5]S[5])(COO)(H)2	S[5](C[5]C[5]C)(C[5]N[5]S){1|C<4>,1|H<1>}	120.7680	0.000	1	120.7680	0.000	1	120.7680	0.000	1	120.5962	1.701	4	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:3:1:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5]W)(S[5]C[5])(CC[5]HH)	C(C[5]N[5]S[5])2(H)2	S[5](C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]W)(S[5]C[5])(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]N[5]S[5])2(H)2	S[5](C[5]C[5]H)(C[5]N[5]C){1|C<4>,1|W<7>}	119.6220	0.134	2	119.6220	0.018	2	119.6220	0.018	2	120.5962	1.701	4	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:3:1:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:O-3:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Cu)(S[5]C[5,6a])(CHHO)	C(C[5]N[5]S[5])(OCuC)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a]Cu)(S[5]C[5,6a])(CHHO){2|C<3>}	C(C[5]N[5]S[5])(OCuC)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Cu<5>,1|H<1>,2|C<3>}	122.3730	0.000	1	122.3730	0.000	1	122.3730	0.000	1	120.5962	1.701	4	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:3:4:2:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-3:C[5]-3:	C[5](C[5]S[5]C)(S[5]C[5])(CC[5]CO)	C(C[5]C[5]S[5])2(CH3)(OH)	S[5](C[5]C[5]S[5])(C[5]C[5]C)	C[5](C[5]S[5]C)(S[5]C[5])(CC[5]CO){1|C<3>}	C(C[5]C[5]S[5])2(CH3)(OH)	S[5](C[5]C[5]S[5])(C[5]C[5]C){1|C<4>,2|S<2>}	115.0555	1.271	2	115.0555	1.615	2	115.0555	1.615	2	115.0555	1.615	2	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5,5]C)(S[5]C[5])(CCHH)	C(C[5]C[5]S[5])(CCCH)(H)2	S[5](C[5]C[5,5]N)(C[5]C[5]C)	C[5](C[5]C[5,5]C)(S[5]C[5])(CCHH){1|N<2>,2|N<3>}	C(C[5]C[5]S[5])(CCCH)(H)2	S[5](C[5]C[5,5]N)(C[5]C[5]C){1|C<3>,2|N<3>}	115.0610	0.000	1	115.0610	0.000	1	120.5536	2.531	18	121.9289	4.803	31	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C(C[5]C[5]S[5])(CCHH)(H)2	S[5](C[5]C[5]C)(C[5]N[5]N)	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|H<1>,1|N<3>}	C(C[5]C[5]S[5])(CCHH)(H)2	S[5](C[5]C[5]C)(C[5]N[5]N){1|C<4>,1|H<1>}	121.6750	0.000	1	121.6750	0.000	1	120.5536	2.531	18	121.9289	4.803	31	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C(C[5]C[5]S[5])(CHHO)(H)2	S[5](C[5]C[5]C)(C[5]N[5]C)	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){2|C<4>}	C(C[5]C[5]S[5])(CHHO)(H)2	S[5](C[5]C[5]C)(C[5]N[5]C){2|C<4>}	120.2300	0.000	1	120.2300	0.000	1	120.5536	2.531	18	121.9289	4.803	31	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C(C[5]C[5]S[5])(CHHO)(H)2	S[5](C[5]C[5]C)(C[5]N[5]H)	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]S[5])(CHHO)(H)2	S[5](C[5]C[5]C)(C[5]N[5]H){2|C<4>}	120.8926	0.872	14	120.8665	0.716	15	120.5536	2.531	18	121.9289	4.803	31	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C(C[5]C[5]S[5])(CHHO)(H)2	S[5](C[5]C[5]C)(C[5]N[5]H)	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|Re<6>,1|H<1>}	C(C[5]C[5]S[5])(CHHO)(H)2	S[5](C[5]C[5]C)(C[5]N[5]H){1|Re<6>,1|C<4>}	120.5020	0.000	1	120.8665	0.716	15	120.5536	2.531	18	121.9289	4.803	31	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(CCHH)	C(C[5]N[5]S[5])(CH3)(H)2	S[5](C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]C)(S[5]C[5])(CCHH){2|H<1>}	C(C[5]N[5]S[5])(CH3)(H)2	S[5](C[5]C[5]H)(C[5]N[5]C){1|C<4>,1|H<1>}	124.4050	0.000	1	124.4050	0.000	1	125.1400	1.080	2	121.9289	4.803	31	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5]H)(S[5]C[5])(CCHH)	C(C[5]N[5]S[5])(CHPP)(H)2	S[5](C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]H)(S[5]C[5])(CCHH){2|H<1>}	C(C[5]N[5]S[5])(CHPP)(H)2	S[5](C[5]C[5]H)(C[5]N[5]C){2|H<1>}	125.8750	0.000	1	125.8750	0.000	1	125.1400	1.080	2	121.9289	4.803	31	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5]Cu)(S[5]C[5])(CHHN)	C(C[5]N[5]S[5])(NCuCC)(H)2	S[5](C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]Cu)(S[5]C[5])(CHHN){2|H<1>}	C(C[5]N[5]S[5])(NCuCC)(H)2	S[5](C[5]C[5]H)(C[5]N[5]C){1|Cu<6>,1|H<1>}	121.6140	0.000	1	121.6140	0.000	1	123.5957	1.473	11	121.9289	4.803	31	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5]Fe)(S[5]C[5])(CHHN)	C(C[5]N[5]S[5])(NFeCC)(H)2	S[5](C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]Fe)(S[5]C[5])(CHHN){2|H<1>}	C(C[5]N[5]S[5])(NFeCC)(H)2	S[5](C[5]C[5]H)(C[5]N[5]C){1|Fe<6>,1|H<1>}	124.2365	1.197	6	124.2365	1.433	6	123.5957	1.473	11	121.9289	4.803	31	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5]Zn)(S[5]C[5])(CHHN)	C(C[5]N[5]S[5])(NZnCC)(H)2	S[5](C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]Zn)(S[5]C[5])(CHHN){2|H<1>}	C(C[5]N[5]S[5])(NZnCC)(H)2	S[5](C[5]C[5]H)(C[5]N[5]C){1|Zn<6>,1|H<1>}	123.1300	0.323	4	123.1300	0.104	4	123.5957	1.473	11	121.9289	4.803	31	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:4:1:1:	4:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5](C[5]N[5,5]C)(S[5]C[5,5])(CCHH)	C(C[5]C[5]S[5])(CHHO)(H)2	S[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]C)	C[5](C[5]N[5,5]C)(S[5]C[5,5])(CCHH){1|H<1>,2|C<4>}	C(C[5]C[5]S[5])(CHHO)(H)2	S[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]C){1|S<3>,4|C<4>}	119.0940	0.000	1	119.0940	0.000	1	119.0940	0.000	1	118.7065	0.300	2	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Zn)(S[5]C[5])(CHHP)	C(C[5]N[5]S[5])(PC[6a]2C)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Zn)(S[5]C[5])(CHHP){4|H<1>}	C(C[5]N[5]S[5])(PC[6a]2C)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]C){1|Zn<4>,2|H<1>}	118.3190	0.000	1	118.3190	0.000	1	118.3190	0.000	1	118.7065	0.300	2	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:4:2:1:	3:3:	N[5]-3:S[5]-2:C-4:	C[5]-3:C-4:O-2:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)	C(C[5]N[5]S[5])(CCHH)(OH)(H)	S[5](C[5]C[5]C)(C[5]N[5]C)	C[5](N[5]C[5]C)(S[5]C[5])(CCHO){2|C<4>}	C(C[5]N[5]S[5])(CCHH)(OH)(H)	S[5](C[5]C[5]C)(C[5]N[5]C){2|C<4>}	122.7840	0.000	1	122.7840	0.000	1	122.7840	0.000	1	122.7840	0.000	1	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:	C[5](C[5]C[6a]B[5])(S[5]C[5])(CC3)	C(C[5]C[5]S[5])(CH3)3	S[5](C[5]B[5]C)(C[5]C[5]C)	C[5](C[5]C[6a]B[5])(S[5]C[5])(CC3){5|C<3>}	C(C[5]C[5]S[5])(CH3)3	S[5](C[5]B[5]C)(C[5]C[5]C){3|C<3>}	113.6730	0.000	1	113.6730	0.000	1	113.6730	0.000	1	113.6730	0.000	1	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:S[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[6a]O[5])(CC[6a]HH)(S[5]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](C[5]C[5]C)(C[5]O[5]N)	C[5](C[5]C[6a]O[5])(CC[6a]HH)(S[5]C[5]){1|N<2>,2|C<3>}	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](C[5]C[5]C)(C[5]O[5]N){1|C<3>}	116.9730	0.000	1	116.9730	0.000	1	116.4941	2.330	7	116.4941	2.330	7	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:S[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](C[5]C[5]C)(C[5]N[5]N)	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5]){1|H<1>,1|N<3>}	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	S[5](C[5]C[5]C)(C[5]N[5]N){1|C<4>,1|H<1>}	116.4143	1.656	6	116.4143	2.742	6	116.4941	2.330	7	116.4941	2.330	7	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:4:2:	3:3:3:1:	3:3:	C[5]-3:C-4:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]C)(CC[6a]2H)(S[5]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)2(H)	S[5](C[5]C[5]C)(C[5]S[5]S)	C[5](C[5]S[5]C)(CC[6a]2H)(S[5]C[5]){1|S<1>}	C(C[5]C[5]S[5])(C[6a]C[6a]2)2(H)	S[5](C[5]C[5]C)(C[5]S[5]S){1|C<3>}	118.5460	0.000	2	118.5460	0.000	2	118.5460	0.000	2	118.5460	0.000	2	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	3:4:2:	3:3:3:2:	3:3:	N[5]-3:C-4:S[5]-2:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Bi)(CC[6a]C[5]O)(S[5]C[5,6a])	C(C[5]N[5]S[5])2(C[6a]C[6a]2)(OC)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a]Bi)(CC[6a]C[5]O)(S[5]C[5,6a]){2|C<3>}	C(C[5]N[5]S[5])2(C[6a]C[6a]2)(OC)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Bi<5>,1|H<1>,2|C<3>}	120.0088	1.493	6	120.0088	2.229	6	120.0088	2.229	6	120.0088	2.229	6	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	4:2:2:	3:3:1:1:	3:3:	C-4:N[5]-2:S[5]-2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:	C[5](CN[5a]HH)(N[5]N[5])(S[5]C[5])	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(H)2	S[5](C[5]N[5]C)(C[5]N[5]S)	C[5](CN[5a]HH)(N[5]N[5])(S[5]C[5]){1|H<1>,1|S<1>}	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(H)2	S[5](C[5]N[5]C)(C[5]N[5]S){1|H<1>}	124.0730	0.000	1	124.0730	0.000	1	124.0730	0.000	1	124.0730	0.000	1	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	4:2:4:	3:4:1:1:	3:3:	C[5]-4:S[5]-2:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(S[5]C[5])(CHHN)	C(C[5]C[5]S[5])(NH3)(H)2	S[5](C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]HH)(S[5]C[5])(CHHN){2|H<1>}	C(C[5]C[5]S[5])(NH3)(H)2	S[5](C[5]C[5]C)(C[5]C[5]H){3|H<1>}	122.6140	0.000	1	122.6140	0.000	1	122.6140	0.000	1	122.6140	0.000	1	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	4:2:4:	3:4:1:1:	4:3:	C[5]-4:S[5]-2:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(S[5]C[5])(CHHN)	C(C[5]C[5]S[5])(NH3)(H)2	S[5](C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(S[5]C[5])(CHHN){4|H<1>}	C(C[5]C[5]S[5])(NH3)(H)2	S[5](C[5]C[5]HH)(C[5]C[5]C){4|H<1>}	121.0790	0.000	1	121.0790	0.000	1	121.0790	0.000	1	121.0790	0.000	1	117.9627	7.879	498	117.9627	7.879	498
818	490	891	0:SP2_SP2_SP3	C[5]	C	S[5]	4:2:4:	3:4:4:4:	3:3:	C[5]-4:S[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(CC3)	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(CC3){2|C<3>}	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){2|C<3>,3|H<1>}	118.8230	0.000	1	118.8230	0.000	1	118.8230	0.000	1	118.8230	0.000	1	117.9627	7.879	498	117.9627	7.879	498
818	490	917	0:SP2_SP3_SP3	C[5,6]	C	P[4,5,5,6]	4:3:4:	3:4:4:4:	4:4:3:1:	P[4,5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C-4:C-4:C-4:	C[3,4,5,6]-4:C[4,4,5,5]-4:C[5,6]-3:H-1:	C[5,6](P[4,5,5,6]C[3,4,5,6]C[4,4,5,5]H)(C[5,6]P[4,5,5,6]C)(CC3)	C(C[5,6]P[4,5,5,6]C[5,6])(CH3)3	P[4,5,5,6](C[3,4,5,6]P[3,4,5,6]P[3,4,4]C)(C[4,4,5,5]P[4,5,5,6]P[3,4,4]C)(C[5,6]C[5,6]C)(H)	C[5,6](P[4,5,5,6]C[3,4,5,6]C[4,4,5,5]H)(C[5,6]P[4,5,5,6]C)(CC3){2|C<4>,2|P<3>}	C(C[5,6]P[4,5,5,6]C[5,6])(CH3)3	P[4,5,5,6](C[3,4,5,6]P[3,4,5,6]P[3,4,4]C)(C[4,4,5,5]P[4,5,5,6]P[3,4,4]C)(C[5,6]C[5,6]C)(H){1|C<4>}	120.2700	0.000	1	120.2700	0.000	1	120.2700	0.000	1	120.2700	0.000	1	120.2700	0.000	1	120.2700	0.000	1
818	490	939	0:SP2_SP2_SP3	C[5]	C	Ge[5]	3:3:4:	3:1:1:1:	3:3:3:	Ge[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:Ge[6]-3:C[5]-3:	C[5](Ge[5]Ge[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]Ge[5]C[5])(H)3	Ge[5](N[5]C[6a]C[5])(Ge[6]N[6]2)(C[5]C[5]C)	C[5](Ge[5]Ge[6]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,2|N<3>}	C(C[5]Ge[5]C[5])(H)3	Ge[5](N[5]C[6a]C[5])(Ge[6]N[6]2)(C[5]C[5]C){1|C<4>,1|H<1>,6|C<3>}	129.5130	0.000	1	129.5130	0.000	1	129.5130	0.000	1	129.5130	0.000	1	129.5130	0.000	1	129.5130	0.000	1
818	490	955	0:SP2_SP3_SP3	C[5]	C	P[5]	3:4:4:	3:1:1:1:	2:3:2:1:	C[5]-3:P[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:O-2:O-1:	C[5](C[5]C[5,6]C[6a])(P[5]O[5]OO)(CH3)	C(C[5]C[5]P[5])(H)3	P[5](O[5]C[5,6])(C[5]C[5]C)(OC)(O)	C[5](C[5]C[5,6]C[6a])(P[5]O[5]OO)(CH3){2|C<3>,2|C<4>}	C(C[5]C[5]P[5])(H)3	P[5](O[5]C[5,6])(C[5]C[5]C)(OC)(O){1|C<3>,2|C<4>}	123.4610	0.000	1	123.4610	0.000	1	123.4610	0.000	1	123.4610	0.000	1	123.5767	11.308	19	123.5767	11.308	19
818	490	955	0:SP2_SP3_SP3	C[5]	C	P[5]	3:4:4:	3:3:4:4:	3:3:3:1:	C[5,5]-3:P[5]-4:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C[6a]-3:S-1:	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	P[5](C[5]C[5,5]C)2(C[6a]C[6a]2)(S)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	P[5](C[5]C[5,5]C)2(C[6a]C[6a]2)(S){2|C<3>,2|C<4>,2|H<1>}	126.2365	0.243	2	125.3890	1.127	4	125.3890	1.127	4	125.3890	1.127	4	123.5767	11.308	19	123.5767	11.308	19
818	490	955	0:SP2_SP3_SP3	C[5]	C	P[5]	3:4:4:	3:3:4:4:	3:3:3:1:	C[5,5]-3:P[5]-4:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C[6a]-3:S-1:	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	P[5](C[5]C[5,5]C)2(C[6a]C[6a]2)(S)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC){2|C<4>,2|H<1>,4|C<3>}	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	P[5](C[5]C[5,5]C)2(C[6a]C[6a]2)(S){2|C<4>,2|H<1>,3|C<3>}	124.5415	0.670	2	125.3890	1.127	4	125.3890	1.127	4	125.3890	1.127	4	123.5767	11.308	19	123.5767	11.308	19
818	490	955	0:SP2_SP3_SP3	C[5]	C	P[5]	3:4:4:	3:4:4:4:	3:3:2:1:	C[5,5]-3:P[5]-4:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[6a]-3:Se[5]-2:Se-1:	C[5](C[5,5]C[5,5]Se[5])(P[5]C[6a]Se[5]Se)(CC3)	C(C[5]C[5,5]P[5])(CH3)3	P[5](C[5]C[5,5]C)(C[6a]C[6a]2)(Se[5]C[5,5])(Se)	C[5](C[5,5]C[5,5]Se[5])(P[5]C[6a]Se[5]Se)(CC3){1|P<4>,3|C<3>}	C(C[5]C[5,5]P[5])(CH3)3	P[5](C[5]C[5,5]C)(C[6a]C[6a]2)(Se[5]C[5,5])(Se){1|Se<2>,2|H<1>,3|C<3>}	119.4050	0.102	2	119.4050	0.010	2	119.4050	0.010	2	119.4050	0.010	2	123.5767	11.308	19	123.5767	11.308	19
818	490	955	0:SP2_SP3_SP3	C[5]	C	P[5]	3:4:4:	3:4:4:4:	4:3:4:4:	N[5]-3:P[5]-4:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5](N[5]C[6a]B[5])(P[5]C[5]CC)(CC3)	C(C[5]N[5]P[5])(CH3)3	P[5](C[5]B[5]HH)(C[5]N[5]C)(CC3)2	C[5](N[5]C[6a]B[5])(P[5]C[5]CC)(CC3){2|H<1>,4|C<3>}	C(C[5]N[5]P[5])(CH3)3	P[5](C[5]B[5]HH)(C[5]N[5]C)(CC3)2{3|C<3>}	126.1300	0.000	1	126.1300	0.000	1	126.1300	0.000	1	126.1300	0.000	1	123.5767	11.308	19	123.5767	11.308	19
818	490	955	0:SP2_SP3_SP3	C[5]	C	P[5]	4:2:4:	3:1:1:1:	3:3:4:4:	P[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-3:C-4:C-4:	C[5](P[5]P[5]CC)(N[5]P[5])(CH3)	C(C[5]N[5]P[5])(H)3	P[5](C[5]N[5]C)(P[5]P[5]C)(CC3)(CH3)	C[5](P[5]P[5]CC)(N[5]P[5])(CH3){2|C<4>}	C(C[5]N[5]P[5])(H)3	P[5](C[5]N[5]C)(P[5]P[5]C)(CC3)(CH3){1|C<4>}	119.4240	0.000	1	119.4240	0.000	1	119.4240	0.000	1	119.4240	0.000	1	123.5767	11.308	19	123.5767	11.308	19
818	490	955	0:SP2_SP3_SP3	C[5]	C	P[5]	4:2:4:	3:1:1:1:	4:3:4:4:	P[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5](P[5]C[5]CC)(N[5]B[5])(CH3)	C(C[5]N[5]P[5])(H)3	P[5](C[5]B[5]HH)(C[5]N[5]C)(CC3)2	C[5](P[5]C[5]CC)(N[5]B[5])(CH3){2|C<3>,2|H<1>}	C(C[5]N[5]P[5])(H)3	P[5](C[5]B[5]HH)(C[5]N[5]C)(CC3)2{2|C<3>}	122.6840	0.000	1	122.6840	0.000	1	122.6840	0.000	1	122.6840	0.000	1	123.5767	11.308	19	123.5767	11.308	19
818	490	955	0:SP2_SP3_SP3	C[5]	C	P[5]	4:2:4:	3:4:4:4:	4:3:4:4:	P[5]-4:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5](P[5]C[5]CC)(N[5]B[5])(CC3)	C(C[5]N[5]P[5])(CH3)3	P[5](C[5]B[5]HH)(C[5]N[5]C)(CC3)2	C[5](P[5]C[5]CC)(N[5]B[5])(CC3){2|C<3>,2|H<1>}	C(C[5]N[5]P[5])(CH3)3	P[5](C[5]B[5]HH)(C[5]N[5]C)(CC3)2{2|C<3>}	129.5020	0.000	1	129.5020	0.000	1	129.5020	0.000	1	129.5020	0.000	1	123.5767	11.308	19	123.5767	11.308	19
818	490	955	0:SP2_SP3_SP3	C[5]	C	P[5]	4:3:4:	3:3:1:1:	3:3:3:3:	P[5]-4:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5](P[5]C[6a]2C[5])(C[5]P[5]O)(CCHH)	C(C[5]C[5]P[5])(COO)(H)2	P[5](C[5]C[6a]P[5])(C[6a]C[6a]2)2(C[5]C[5]C)	C[5](P[5]C[6a]2C[5])(C[5]P[5]O)(CCHH){7|C<3>}	C(C[5]C[5]P[5])(COO)(H)2	P[5](C[5]C[6a]P[5])(C[6a]C[6a]2)2(C[5]C[5]C){1|N<2>,1|O<1>,4|H<1>,7|C<3>}	121.9640	0.000	1	121.9640	0.000	1	121.9640	0.000	1	121.9640	0.000	1	123.5767	11.308	19	123.5767	11.308	19
818	490	955	0:SP2_SP3_SP3	C[5]	C	P[5]	4:3:4:	3:4:1:1:	3:3:3:1:	P[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-1:	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCHH)	C(C[5]C[5]P[5])(CCHH)(H)2	P[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]C)(O)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCHH){4|C<3>}	C(C[5]C[5]P[5])(CCHH)(H)2	P[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]C)(O){1|C<4>,2|H<1>,5|C<3>}	124.2970	0.000	1	124.2970	0.000	1	124.2970	0.000	1	124.2970	0.000	1	123.5767	11.308	19	123.5767	11.308	19
818	490	955	0:SP2_SP3_SP3	C[5]	C	P[5]	4:3:4:	3:4:1:1:	3:3:3:3:	P[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[5](P[5]C[6a]2C[5])(C[5]B[5]H)(CCHH)	C(C[5]C[5]P[5])(CCHH)(H)2	P[5](C[6a]C[6a]2)2(C[5]B[5]C)(C[5]C[5]C)	C[5](P[5]C[6a]2C[5])(C[5]B[5]H)(CCHH){7|C<3>}	C(C[5]C[5]P[5])(CCHH)(H)2	P[5](C[6a]C[6a]2)2(C[5]B[5]C)(C[5]C[5]C){1|H<1>,4|F<1>,6|C<3>}	122.0895	0.711	2	122.0895	0.505	2	122.0895	0.505	2	122.0895	0.505	2	123.5767	11.308	19	123.5767	11.308	19
818	490	955	0:SP2_SP3_SP3	C[5]	C	P[5]	4:3:4:	3:4:1:1:	3:3:4:1:	P[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:S-1:	C[5](P[5]C[5,6]CS)(C[5]C[5,6]C)(CCHH)	C(C[5]C[5]P[5])(CH3)(H)2	P[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(S)	C[5](P[5]C[5,6]CS)(C[5]C[5,6]C)(CCHH){1|C<3>,1|P<2>}	C(C[5]C[5]P[5])(CH3)(H)2	P[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(S){1|C<3>,1|P<2>,2|C<4>}	121.7440	0.000	1	121.7440	0.000	1	121.7440	0.000	1	121.7440	0.000	1	123.5767	11.308	19	123.5767	11.308	19
818	490	955	0:SP2_SP3_SP3	C[5]	C	P[5]	4:3:4:	3:4:2:1:	3:3:3:1:	P[5]-4:C[5]-3:C-4:	C[5]-3:C-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-1:	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(CCHO)	C(C[5]C[5]P[5])(CH3)(OH)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(O)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(CCHO){6|C<3>}	C(C[5]C[5]P[5])(CH3)(OH)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(O){3|H<1>,5|C<3>}	122.6080	0.000	1	122.6080	0.000	1	122.6080	0.000	1	122.6080	0.000	1	123.5767	11.308	19	123.5767	11.308	19
818	490	955	0:SP2_SP3_SP3	C[5]	C	P[5]	4:4:4:	3:3:4:1:	3:3:3:3:	P[5]-4:P[5]-4:C-4:	C[6a]-3:C[5]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[5](P[5]C[6a]2C[5])2(CC[6a]BH)	C(C[6a]C[6a]2)(C[5]P[5]2)(BC[6a]2C)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]B)(C[5]P[5]C)	C[5](P[5]C[6a]2C[5])2(CC[6a]BH){1|B<4>,1|H<1>,8|C<3>}	C(C[6a]C[6a]2)(C[5]P[5]2)(BC[6a]2C)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]B)(C[5]P[5]C){5|H<1>,6|C<3>}	119.8700	0.000	1	119.8700	0.000	1	125.7990	70.306	2	125.7990	70.306	2	123.5767	11.308	19	123.5767	11.308	19
818	490	955	0:SP2_SP3_SP3	C[5]	C	P[5]	4:4:4:	3:3:4:1:	3:3:3:3:	P[5]-4:P[5]-4:C-4:	C[6a]-3:C[5]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[5](P[5]C[6a]2C[5])2(CC[6a]BH)	C(C[6a]C[6a]2)(C[5]P[5]2)(BC[6a]2C)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]P[5]C)	C[5](P[5]C[6a]2C[5])2(CC[6a]BH){1|B<4>,1|H<1>,8|C<3>}	C(C[6a]C[6a]2)(C[5]P[5]2)(BC[6a]2C)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]P[5]C){1|B<4>,4|H<1>,6|C<3>}	131.7280	0.000	1	131.7280	0.000	1	125.7990	70.306	2	125.7990	70.306	2	123.5767	11.308	19	123.5767	11.308	19
818	490	959	0:SP2_SP3_SP3	C[5]	C	S[5]	3:4:4:	3:1:1:1:	3:3:1:1:	C[5]-3:S[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(CH3){4|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2{1|H<1>,3|C<3>}	117.7190	0.000	1	117.7190	0.000	1	117.7190	0.000	1	117.7190	0.000	1	118.8389	1.538	12	118.8389	1.538	12
818	490	959	0:SP2_SP3_SP3	C[5]	C	S[5]	4:3:4:	3:1:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	C[5]-3:Br-1:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CBrHH)	C(C[5]C[5]S[5])(Br)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CBrHH){2|C<3>}	C(C[5]C[5]S[5])(Br)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2{2|C<3>,2|H<1>}	120.8930	0.000	1	120.8930	0.000	1	120.8930	0.000	1	118.8610	3.259	3	118.8389	1.538	12	118.8389	1.538	12
818	490	959	0:SP2_SP3_SP3	C[5]	C	S[5]	4:3:4:	3:1:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5]-3:O-1:O-1:	C[5](S[5]C[5,5a]OO)(C[5]C[5,5a]H)(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5,5a]C[5,5a]2)(C[5]C[5]C)(O)2	C[5](S[5]C[5,5a]OO)(C[5]C[5,5a]H)(CH3){1|C<3>,1|S<2>}	C(C[5]C[5]S[5])(H)3	S[5](C[5,5a]C[5,5a]2)(C[5]C[5]C)(O)2{1|C<3>,1|H<1>,1|S<2>,1|S<4>}	117.8450	0.570	2	117.8450	0.325	2	117.8450	0.325	2	118.8610	3.259	3	118.8389	1.538	12	118.8389	1.538	12
818	490	959	0:SP2_SP3_SP3	C[5]	C	S[5]	4:3:4:	3:1:1:1:	4:3:1:1:	S[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:O-1:	C[5](S[5]C[5,6]OO)(C[5]C[5,6]H)(CH3)	C(C[5]C[5]S[5])(H)3	S[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5]C)(O)2	C[5](S[5]C[5,6]OO)(C[5]C[5,6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]S[5])(H)3	S[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5]C)(O)2{2|H<1>,3|C<3>}	118.2680	0.000	1	118.2680	0.000	1	118.2680	0.000	1	118.2680	0.000	1	118.8389	1.538	12	118.8389	1.538	12
818	490	959	0:SP2_SP3_SP3	C[5]	C	S[5]	4:3:4:	3:2:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CHHO)	C(C[5]C[5]S[5])(OH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CHHO){2|C<3>}	C(C[5]C[5]S[5])(OH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2{2|C<3>,2|H<1>}	119.9065	1.559	2	119.9065	2.431	2	119.9065	2.431	2	119.9065	2.431	2	118.8389	1.538	12	118.8389	1.538	12
818	490	959	0:SP2_SP3_SP3	C[5]	C	S[5]	4:3:4:	3:3:3:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	C[5]-3:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2{1|H<1>,1|O<2>,2|C<3>}	118.0610	0.000	1	118.0610	0.000	1	118.0610	0.000	1	118.0610	0.000	1	118.8389	1.538	12	118.8389	1.538	12
818	490	959	0:SP2_SP3_SP3	C[5]	C	S[5]	4:3:4:	3:4:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CCHH)	C(C[5]C[5]S[5])(CH3)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CCHH){2|C<3>}	C(C[5]C[5]S[5])(CH3)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2{1|H<1>,3|C<3>}	117.9995	0.448	2	117.9995	0.200	2	117.9995	0.200	2	118.9057	1.162	4	118.8389	1.538	12	118.8389	1.538	12
818	490	959	0:SP2_SP3_SP3	C[5]	C	S[5]	4:3:4:	3:4:1:1:	3:3:1:1:	S[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:O-1:O-1:	C[5](S[5]C[5]OO)(C[5]C[5]H)(CCHH)	C(C[5]C[5]S[5])(CCHH)(H)2	S[5](C[5]C[5]C)2(O)2	C[5](S[5]C[5]OO)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]S[5])(CCHH)(H)2	S[5](C[5]C[5]C)2(O)2{2|H<1>}	119.8120	0.011	2	119.8120	0.000	2	119.8120	0.000	2	118.9057	1.162	4	118.8389	1.538	12	118.8389	1.538	12
818	490	960	0:SP2_SP2_SP3	C[5,6]	C	N[5,6]	4:2:4:	3:3:1:1:	4:3:	C[5,5,6]-4:N[5,6]-2:C-4:	C[5,6]-3:C[6a]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]N[6])(N[5,6]C[5,5,6,6])(CC[6a]HH)	C(C[5,6]C[5,5,6]N[5,6])(C[6a]C[6a]2)(H)2	N[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]N[6])(N[5,6]C[5,5,6,6])(CC[6a]HH){1|C<3>,1|H<1>,4|C<4>}	C(C[5,6]C[5,5,6]N[5,6])(C[6a]C[6a]2)(H)2	N[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]C){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	125.6890	0.000	1	125.6890	0.000	1	125.6890	0.000	1	125.6890	0.000	1	125.6890	0.000	1	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	2:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	Se[5]-2:C[5]-3:	C[5](N[5]Se[5])2(CH3)	C(C[5]N[5]2)(H)3	N[5](Se[5]Se[5])(C[5]N[5]C)	C[5](N[5]Se[5])2(CH3)	C(C[5]N[5]2)(H)3	N[5](Se[5]Se[5])(C[5]N[5]C)	116.2848	1.230	8	116.2848	1.513	8	116.2848	1.513	8	117.5488	5.827	11	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	2:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:	C[5](O[5]Si[3x5])(N[5]O[5])(CH3)	C(C[5]N[5]O[5])(H)3	N[5](O[5]Si[3x5])(C[5]O[5]C)	C[5](O[5]Si[3x5])(N[5]O[5])(CH3){4|O<2>}	C(C[5]N[5]O[5])(H)3	N[5](O[5]Si[3x5])(C[5]O[5]C){4|O<2>}	120.9197	0.636	3	120.9197	0.405	3	120.9197	0.405	3	117.5488	5.827	11	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:2:	N[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:	C[5](N[5]C[5])(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5])	C[5](N[5]C[5])(N[5]N[5])(CH3){1|S<2>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]){1|S<2>}	123.2820	0.000	1	123.2820	0.000	1	124.0890	0.459	5	122.0870	7.919	8	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:2:	N[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:	C[5](N[5]N[5])2(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]N[5])	C[5](N[5]N[5])2(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]N[5])	124.2908	0.584	4	124.2908	0.341	4	124.0890	0.459	5	122.0870	7.919	8	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:2:	N[5]-2:P[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:	C[5](N[5]N[5])(P[5]N[5])(CH3)	C(C[5]N[5]P[5])(H)3	N[5](C[5]P[5]C)(N[5]N[5])	C[5](N[5]N[5])(P[5]N[5])(CH3){1|C<4>}	C(C[5]N[5]P[5])(H)3	N[5](C[5]P[5]C)(N[5]N[5]){1|C<4>}	118.7503	0.279	3	118.7503	0.078	3	118.7503	0.078	3	122.0870	7.919	8	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	C[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5])(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[5]Ru)(C[5]C[5]C)	C[5](C[5]C[5])(N[5]N[5])(CH3){1|Ru<9>,1|H<1>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[5]Ru)(C[5]C[5]C){1|H<1>}	121.5440	0.000	1	121.5440	0.000	1	121.5440	0.000	1	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5])2(CF3)	C(C[5]N[5]2)(F)3	N[5](C[5]C[5]C)(C[5]N[5]C)	C[5](N[5]C[5])2(CF3){2|C<2>}	C(C[5]N[5]2)(F)3	N[5](C[5]C[5]C)(C[5]N[5]C){1|C<2>}	121.4068	0.841	6	121.4068	0.708	6	121.4068	0.708	6	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a])2(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a])2(CH3){2|C<3>}	C(C[5]N[5]2)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|H<1>,2|C<3>}	125.3597	0.349	4	125.3597	0.121	4	125.3597	0.121	4	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5])(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(C[5]N[5]S)	C[5](N[5]C[5])(N[5]N[5])(CH3){1|S<2>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(C[5]N[5]S)	127.5080	0.000	1	127.5080	0.000	1	124.4847	5.489	9	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5])2(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5])2(CH3){1|H<1>,1|N<2>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C){1|N<2>}	123.9180	0.000	1	124.1378	6.524	5	124.4847	5.489	9	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5])2(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5])2(CH3){1|H<1>,1|N<3>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C){1|N<3>}	121.6525	0.453	2	124.1378	6.524	5	124.4847	5.489	9	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5])2(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5])2(CH3){2|H<1>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C){1|H<1>}	126.7330	0.143	2	124.1378	6.524	5	124.4847	5.489	9	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5])2(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[5]N)(C[5]N[5]C)	C[5](N[5]C[5])2(CH3){1|H<1>,1|N<2>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[5]N)(C[5]N[5]C){1|H<1>}	126.2730	0.000	1	124.0550	3.761	3	124.4847	5.489	9	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5])2(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[5]N)(C[5]N[5]C)	C[5](N[5]C[5])2(CH3){1|H<1>,1|N<3>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[5]N)(C[5]N[5]C){1|H<1>}	122.9460	0.378	2	124.0550	3.761	3	124.4847	5.489	9	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]N[5])2(CH3)	C(C[5]N[5]2)(H)3	N[5](N[5]N[5]Ir)(C[5]N[5]C)	C[5](N[5]N[5])2(CH3){2|Ir<8>}	C(C[5]N[5]2)(H)3	N[5](N[5]N[5]Ir)(C[5]N[5]C){1|Ir<8>}	123.4500	0.420	2	123.4500	0.176	2	123.4500	0.176	2	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CH3)	C(C[5]N[5]O[5])(H)3	N[5](C[5]C[5]C)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CH3){1|C<3>,1|O<1>}	C(C[5]N[5]O[5])(H)3	N[5](C[5]C[5]C)(C[5]O[5]C){1|O<1>}	128.4525	0.419	15	128.4525	0.175	15	128.4525	0.175	15	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]N[5])(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	N[5](C[5]S[5]C)(N[5]C[5]B)	C[5](N[5]N[5])(S[5]C[5])(CH3){1|B<4>,1|S<1>}	C(C[5]N[5]S[5])(H)3	N[5](C[5]S[5]C)(N[5]C[5]B){1|S<1>}	123.3568	0.383	4	123.2955	0.356	12	123.1579	0.343	36	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]N[5])(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	N[5](C[5]S[5]C)(N[5]C[5]B)	C[5](N[5]N[5])(S[5]C[5])(CH3){1|B<4>,1|S<2>}	C(C[5]N[5]S[5])(H)3	N[5](C[5]S[5]C)(N[5]C[5]B){1|S<2>}	123.2649	0.702	8	123.2955	0.356	12	123.1579	0.343	36	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]N[5])(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	N[5](C[5]S[5]C)(N[5]C[5]C)	C[5](N[5]N[5])(S[5]C[5])(CH3){1|C<3>,1|S<1>}	C(C[5]N[5]S[5])(H)3	N[5](C[5]S[5]C)(N[5]C[5]C){1|S<1>}	122.3915	0.250	2	122.3915	0.062	2	123.1579	0.343	36	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]N[5])(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	N[5](C[5]S[5]C)(N[5]C[5]H)	C[5](N[5]N[5])(S[5]C[5])(CH3){1|H<1>,1|N<2>}	C(C[5]N[5]S[5])(H)3	N[5](C[5]S[5]C)(N[5]C[5]H){1|N<2>}	123.1526	0.561	22	123.1526	0.315	22	123.1579	0.343	36	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5]-3:	C[5](N[5]N[5,5])(S[5]C[5,5])(CH3)	C(C[5]N[5]S[5])(H)3	N[5](N[5,5]C[5,5]C[5])(C[5]S[5]C)	C[5](N[5]N[5,5])(S[5]C[5,5])(CH3){1|C<3>,1|N<3>}	C(C[5]N[5]S[5])(H)3	N[5](N[5,5]C[5,5]C[5])(C[5]S[5]C){1|C<3>,1|N<2>,1|N<3>}	122.8360	0.665	3	122.8360	0.442	3	122.8360	0.442	3	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]N[5])(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	N[5](N[5]C[5]Co)(C[5]S[5]C)	C[5](N[5]N[5])(S[5]C[5])(CH3){1|Co<4>,1|N<3>}	C(C[5]N[5]S[5])(H)3	N[5](N[5]C[5]Co)(C[5]S[5]C){1|N<3>}	124.7025	0.590	2	124.7025	0.349	2	123.8912	1.115	5	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]N[5])(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	N[5](N[5]C[5]Pd)(C[5]S[5]C)	C[5](N[5]N[5])(S[5]C[5])(CH3){1|Pd<4>,1|N<3>}	C(C[5]N[5]S[5])(H)3	N[5](N[5]C[5]Pd)(C[5]S[5]C){1|N<3>}	123.0000	0.000	1	123.0000	0.000	1	123.8912	1.115	5	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]N[5])(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	N[5](N[5]C[5]Pt)(C[5]S[5]C)	C[5](N[5]N[5])(S[5]C[5])(CH3){1|Pt<4>,1|N<3>}	C(C[5]N[5]S[5])(H)3	N[5](N[5]C[5]Pt)(C[5]S[5]C){1|N<3>}	123.5255	1.316	2	123.5255	1.732	2	123.8912	1.115	5	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-3:	C[5](O[5]Si[5,5])(N[5]N[5])(CF3)	C(C[5]N[5]O[5])(F)3	N[5](N[5]Si[5,5]C)(C[5]O[5]C)	C[5](O[5]Si[5,5])(N[5]N[5])(CF3){1|N<4>,1|O<2>,2|C<4>}	C(C[5]N[5]O[5])(F)3	N[5](N[5]Si[5,5]C)(C[5]O[5]C){1|C<4>,1|N<4>,1|O<2>}	122.1390	0.000	1	122.1390	0.000	1	122.1390	0.000	1	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:	C[5](O[5]Si[5,6])(N[5]N[5,6])(CH3)	C(C[5]N[5]O[5])(H)3	N[5](N[5,6]Si[5,6]C[6])(C[5]O[5]C)	C[5](O[5]Si[5,6])(N[5]N[5,6])(CH3){1|O<2>,2|C<4>}	C(C[5]N[5]O[5])(H)3	N[5](N[5,6]Si[5,6]C[6])(C[5]O[5]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	124.2630	0.308	2	124.2630	0.095	2	124.2630	0.095	2	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](O[5]Si[5,5])(N[5]N[5])(CH3)	C(C[5]N[5]O[5])(H)3	N[5](N[5]Si[5,5]C)(C[5]O[5]C)	C[5](O[5]Si[5,5])(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C(C[5]N[5]O[5])(H)3	N[5](N[5]Si[5,5]C)(C[5]O[5]C){1|C<4>,1|N<3>,1|O<2>}	120.6540	0.311	2	122.4050	4.132	4	122.4385	2.519	6	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](O[5]Si[5,5])(N[5]N[5])(CH3)	C(C[5]N[5]O[5])(H)3	N[5](N[5]Si[5,5]C)(C[5]O[5]C)	C[5](O[5]Si[5,5])(N[5]N[5])(CH3){1|N<3>,1|O<2>,2|C<4>}	C(C[5]N[5]O[5])(H)3	N[5](N[5]Si[5,5]C)(C[5]O[5]C){1|C<4>,1|N<3>,1|O<2>}	124.1560	0.190	2	122.4050	4.132	4	122.4385	2.519	6	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](O[5]Si[5,6])(N[5]N[5])(CH3)	C(C[5]N[5]O[5])(H)3	N[5](N[5]Si[5,6]C)(C[5]O[5]C)	C[5](O[5]Si[5,6])(N[5]N[5])(CH3){1|C<3>,1|H<1>,2|N<3>}	C(C[5]N[5]O[5])(H)3	N[5](N[5]Si[5,6]C)(C[5]O[5]C){1|H<1>,2|N<3>}	122.8080	0.000	1	122.8080	0.000	1	122.4385	2.519	6	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	3:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](O[5]Si[5])(N[5]N[5])(CH3)	C(C[5]N[5]O[5])(H)3	N[5](N[5]Si[5]C)(C[5]O[5]C)	C[5](O[5]Si[5])(N[5]N[5])(CH3){1|O<2>,2|C<4>}	C(C[5]N[5]O[5])(H)3	N[5](N[5]Si[5]C)(C[5]O[5]C){1|C<4>,1|O<2>}	122.2030	0.000	1	122.2030	0.000	1	122.4385	2.519	6	124.1380	5.399	90	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5,5]-4:C[5]-3:	C[5](N[5]C[5,5])(O[5]C[5,5])(CCl3)	C(C[5]N[5]O[5])(Cl)3	N[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]C)	C[5](N[5]C[5,5])(O[5]C[5,5])(CCl3){1|C<3>,1|H<1>,2|C<4>}	C(C[5]N[5]O[5])(Cl)3	N[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	125.5200	0.000	1	125.5200	0.000	1	125.5200	0.000	1	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5,6,6]-4:C[5]-3:	C[5](N[5]C[5,6,6])(O[5]C[5,6,6])(CCl3)	C(C[5]N[5]O[5])(Cl)3	N[5](C[5,6,6]C[5,6,6]C[3x6]O)(C[5]O[5]C)	C[5](N[5]C[5,6,6])(O[5]C[5,6,6])(CCl3){1|O<2>,3|C<4>}	C(C[5]N[5]O[5])(Cl)3	N[5](C[5,6,6]C[5,6,6]C[3x6]O)(C[5]O[5]C){1|C<3>,1|H<1>,3|C<4>}	125.1140	0.000	1	125.1140	0.000	1	125.1140	0.000	1	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5,6]-4:C[5]-3:	C[5](N[5]C[5,6])(O[5]C[5,6])(CCl3)	C(C[5]N[5]O[5])(Cl)3	N[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]C)	C[5](N[5]C[5,6])(O[5]C[5,6])(CCl3){1|C<3>,3|C<4>}	C(C[5]N[5]O[5])(Cl)3	N[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]C){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	125.2550	0.000	1	125.2550	0.000	1	125.5425	0.165	2	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5,6]-4:C[5]-3:	C[5](N[5]C[5,6])(O[5]C[5,6])(CCl3)	C(C[5]N[5]O[5])(Cl)3	N[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]C)	C[5](N[5]C[5,6])(O[5]C[5,6])(CCl3){1|C<4>,1|O<2>,2|C<3>}	C(C[5]N[5]O[5])(Cl)3	N[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]C){1|C<4>,1|H<1>,2|C<3>}	125.8300	0.000	1	125.8300	0.000	1	125.5425	0.165	2	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CCl3)	C(C[5]N[5]O[5])(Cl)3	N[5](C[5]C[5]CC)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CCl3){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(Cl)3	N[5](C[5]C[5]CC)(C[5]O[5]C){2|H<1>}	125.4755	0.549	6	125.4755	0.301	6	125.4755	0.301	6	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[4,5]-4:C[5]-3:	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3)	C(C[5]N[5]O[5])(H)3	N[5](C[4,5]C[4,5]2C[6a])(C[5]O[5]C)	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]N[5]O[5])(H)3	N[5](C[4,5]C[4,5]2C[6a])(C[5]O[5]C){1|H<1>,1|O<2>,4|C<3>}	126.9030	0.000	1	126.9030	0.000	1	126.6752	0.161	5	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[4,5]-4:C[5]-3:	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3)	C(C[5]N[5]O[5])(H)3	N[5](C[4,5]C[4,5]C[4,6]C)(C[5]O[5]C)	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3){2|C<4>,2|O<2>}	C(C[5]N[5]O[5])(H)3	N[5](C[4,5]C[4,5]C[4,6]C)(C[5]O[5]C){2|C<3>,2|O<2>}	126.6183	0.439	4	126.6183	0.193	4	126.6752	0.161	5	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5](N[5]C[5,5])(O[5]C[5,5])(CH3)	C(C[5]N[5]O[5])(H)3	N[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]C)	C[5](N[5]C[5,5])(O[5]C[5,5])(CH3){1|O<2>,3|C<4>}	C(C[5]N[5]O[5])(H)3	N[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]C){1|O<2>,2|C<4>,2|H<1>}	126.4360	0.000	1	126.4360	0.000	1	126.4360	0.000	1	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3)	C(C[5]N[5]O[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3){1|C<4>,1|O<2>,2|H<1>}	C(C[5]N[5]O[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C){1|C<4>,2|H<1>,2|O<2>}	127.0020	0.000	1	127.0020	0.000	1	127.5045	0.505	2	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3)	C(C[5]N[5]O[5])(H)3	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5]O[5]C)	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3){1|C<3>,1|H<1>,2|O<2>}	C(C[5]N[5]O[5])(H)3	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5]O[5]C){1|H<1>,1|O<2>,3|C<3>}	128.0070	0.000	1	128.0070	0.000	1	127.5045	0.505	2	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CH3)	C(C[5]N[5]O[5])(H)3	N[5](C[5]C[5]CH)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5])(H)3	N[5](C[5]C[5]CH)(C[5]O[5]C){1|C<3>,1|H<1>}	126.4070	0.000	1	126.4070	0.000	1	126.4070	0.000	1	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:	C[5](N[5]P[5])(O[5]C[5])(CH3)	C(C[5]N[5]O[5])(H)3	N[5](P[5]C[5]CW)(C[5]O[5]C)	C[5](N[5]P[5])(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|W<6>}	C(C[5]N[5]O[5])(H)3	N[5](P[5]C[5]CW)(C[5]O[5]C){1|C<3>,1|H<1>}	124.9110	0.000	1	124.8010	0.024	2	124.8010	0.024	2	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:	C[5](N[5]P[5])(O[5]C[5])(CH3)	C(C[5]N[5]O[5])(H)3	N[5](P[5]C[5]CW)(C[5]O[5]C)	C[5](N[5]P[5])(O[5]C[5])(CH3){1|H<1>,1|W<6>,2|C<4>}	C(C[5]N[5]O[5])(H)3	N[5](P[5]C[5]CW)(C[5]O[5]C){1|C<4>,1|H<1>}	124.6910	0.000	1	124.8010	0.024	2	124.8010	0.024	2	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](N[5]C[5,6])(S[5]C[5,6])(CH3)	C(C[5]N[5]S[5])(H)3	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5]S[5]C)	C[5](N[5]C[5,6])(S[5]C[5,6])(CH3){1|C<3>,1|H<1>,2|O<2>}	C(C[5]N[5]S[5])(H)3	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5]S[5]C){1|H<1>,1|O<2>,3|C<3>}	124.7040	0.000	1	124.7040	0.000	1	124.3437	0.097	3	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](N[5]C[5,6])(S[5]C[5,6])(CH3)	C(C[5]N[5]S[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5]S[5]C)	C[5](N[5]C[5,6])(S[5]C[5,6])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]N[5]S[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5]S[5]C){1|H<1>,3|C<3>}	124.1635	0.009	2	124.1635	0.000	2	124.3437	0.097	3	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(S[5]C[5])(CH3)	C(C[5]N[5]S[5])(H)3	N[5](C[5]C[5]2C)(C[5]S[5]C)	C[5](N[5]C[5])(S[5]C[5])(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]N[5]S[5])(H)3	N[5](C[5]C[5]2C)(C[5]S[5]C){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	124.6760	0.000	1	124.6760	0.000	1	124.6760	0.000	1	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:F-1:F-1:F-1:	N[5]-4:C[5]-3:	C[5](O[5]Si[5,5])(N[5]N[5])(CF3)	C(C[5]N[5]O[5])(F)3	N[5](N[5]Si[5,5]CC)(C[5]O[5]C)	C[5](O[5]Si[5,5])(N[5]N[5])(CF3){1|N<3>,1|O<2>,3|C<4>}	C(C[5]N[5]O[5])(F)3	N[5](N[5]Si[5,5]CC)(C[5]O[5]C){1|C<4>,1|N<3>,1|O<2>}	118.4450	0.000	1	118.4450	0.000	1	118.4450	0.000	1	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](O[5]C[5,5])(N[5]C[5])(CH3)	C(C[5]N[5]O[5])(H)3	N[5](C[5]C[5,5]CH)(C[5]O[5]C)	C[5](O[5]C[5,5])(N[5]C[5])(CH3){1|H<1>,3|C<3>}	C(C[5]N[5]O[5])(H)3	N[5](C[5]C[5,5]CH)(C[5]O[5]C){2|C<3>}	127.9560	0.000	1	127.9560	0.000	1	127.6056	0.729	7	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](O[5]C[5,6])(N[5]C[5])(CH3)	C(C[5]N[5]O[5])(H)3	N[5](C[5]C[5,6]CC)(C[5]O[5]C)	C[5](O[5]C[5,6])(N[5]C[5])(CH3){1|C<4>,3|C<3>}	C(C[5]N[5]O[5])(H)3	N[5](C[5]C[5,6]CC)(C[5]O[5]C){2|C<3>}	127.5472	0.920	6	127.5472	0.846	6	127.6056	0.729	7	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:1:1:1:	4:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-4:C[5]-3:	C[5](O[5]Si[5,5])(N[5]N[5])(CH3)	C(C[5]N[5]O[5])(H)3	N[5](N[5]Si[5,5]CC)(C[5]O[5]C)	C[5](O[5]Si[5,5])(N[5]N[5])(CH3){1|C<3>,1|N<4>,1|O<2>,2|C<4>}	C(C[5]N[5]O[5])(H)3	N[5](N[5]Si[5,5]CC)(C[5]O[5]C){1|C<3>,1|N<4>,1|O<2>}	122.8445	0.306	2	122.8445	0.094	2	122.8445	0.094	2	125.7281	3.619	35	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:2:1:1:	3:2:	C[5]-2:N[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-2:	C[5](C[5]N[5])(N[5]N[5])(CHHO)	C(C[5]C[5]N[5])(OC[5])(H)2	N[5](C[5]C[5]C)(N[5]N[5])	C[5](C[5]N[5])(N[5]N[5])(CHHO){1|C<4>}	C(C[5]C[5]N[5])(OC[5])(H)2	N[5](C[5]C[5]C)(N[5]N[5]){1|C<4>}	121.4240	0.000	1	121.4240	0.000	1	121.4240	0.000	1	121.4240	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:2:1:1:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]N[5])(O[5]C[5])(CHHO)	C(C[5]N[5]O[5])(OC[6a])(H)2	N[5](C[5]O[5]C)(N[5]C[5]H)	C[5](N[5]N[5])(O[5]C[5])(CHHO){1|H<1>,1|S<1>}	C(C[5]N[5]O[5])(OC[6a])(H)2	N[5](C[5]O[5]C)(N[5]C[5]H){1|S<1>}	128.2305	1.418	2	128.2305	2.010	2	128.2305	2.010	2	127.7583	1.674	3	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:2:1:1:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:S-2:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]N[5])(O[5]C[5])(CHHS)	C(C[5]N[5]O[5])(SC[6a])(H)2	N[5](C[5]O[5]C)(N[5]C[5]C)	C[5](N[5]N[5])(O[5]C[5])(CHHS){1|C<4>,1|S<1>}	C(C[5]N[5]O[5])(SC[6a])(H)2	N[5](C[5]O[5]C)(N[5]C[5]C){1|S<1>}	126.8140	0.000	1	126.8140	0.000	1	126.8140	0.000	1	127.7583	1.674	3	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:2:4:1:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:O-2:C-4:H-1:	C[5]-3:N[5]-3:	C[5](N[5]N[5])(O[5]C[5])(CCHO)	C(C[5]N[5]O[5])(OC[6a])(CH3)(H)	N[5](C[5]O[5]C)(N[5]C[5]H)	C[5](N[5]N[5])(O[5]C[5])(CCHO){1|H<1>,1|S<1>}	C(C[5]N[5]O[5])(OC[6a])(CH3)(H)	N[5](C[5]O[5]C)(N[5]C[5]H){1|S<1>}	128.7930	0.000	1	128.7930	0.000	1	128.7930	0.000	1	128.7930	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:3:1:1:	3:2:	N[5]-2:N[5]-2:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-2:	C[5](N[5]N[5])2(CC[5]HH)	C(C[5]N[5]2)2(H)2	N[5](C[5]N[5]C)(N[5]N[5])	C[5](N[5]N[5])2(CC[5]HH)	C(C[5]N[5]2)2(H)2	N[5](C[5]N[5]C)(N[5]N[5])	124.1366	0.634	8	124.1366	0.402	8	124.1366	0.402	8	124.1074	0.432	14	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:3:1:1:	3:2:	N[5]-2:N[5]-2:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-2:	C[5](N[5]N[5])2(CHHN)	C(C[5]N[5]2)(NCN)(H)2	N[5](C[5]N[5]C)(N[5]N[5])	C[5](N[5]N[5])2(CHHN)	C(C[5]N[5]2)(NCN)(H)2	N[5](C[5]N[5]C)(N[5]N[5])	124.0683	0.747	6	124.0683	0.558	6	124.0683	0.558	6	124.1074	0.432	14	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:3:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a])2(CC[5a]HH)	C(C[5a]N[5a]2)(C[5]N[5]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a])2(CC[5a]HH){2|C<3>}	C(C[5a]N[5a]2)(C[5]N[5]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|H<1>,2|C<3>}	123.1440	0.498	2	123.1440	0.248	2	123.1440	0.248	2	122.9885	2.150	6	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:3:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a])2(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a])2(CN[5a]HH){2|C<3>}	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|H<1>,2|C<3>}	123.1455	2.009	2	123.1455	4.036	2	123.1455	4.036	2	122.9885	2.150	6	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:3:1:1:	3:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:C[5]-3:	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C)	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C){1|N<3>,1|O<2>,3|C<4>}	120.9190	0.000	1	122.6760	6.174	2	122.6760	6.174	2	122.9885	2.150	6	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:3:1:1:	3:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:C[5]-3:	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C)	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH){1|N<3>,1|O<2>,2|C<4>}	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C){1|N<3>,1|O<2>,4|C<4>}	124.4330	0.000	1	122.6760	6.174	2	122.6760	6.174	2	122.9885	2.150	6	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:3:1:1:	4:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[4,5]-4:C[5]-3:	C[5](N[5]C[4,5])(S[5]C[4,5])(CC[6a]HH)	C(C[5]N[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]C)	C[5](N[5]C[4,5])(S[5]C[4,5])(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	C(C[5]N[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]C){1|H<1>,1|N<3>,1|O<1>}	124.1800	0.000	1	124.1800	0.000	1	124.1800	0.000	1	124.1847	0.013	3	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:3:1:1:	4:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(S[5]C[5])(CHHN)	C(C[5]N[5]S[5])(NCC)(H)2	N[5](C[5]C[6a]C[5]O)(C[5]S[5]C)	C[5](N[5]C[5])(S[5]C[5])(CHHN){1|C<3>,1|O<2>,2|H<1>}	C(C[5]N[5]S[5])(NCC)(H)2	N[5](C[5]C[6a]C[5]O)(C[5]S[5]C){2|C<3>,2|H<1>}	124.0740	0.000	1	124.0740	0.000	1	124.0740	0.000	1	124.1847	0.013	3	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:3:1:1:	4:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:P-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(S[5]C[5])(CHHP)	C(C[5]N[5]S[5])(PC[6a]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]C)	C[5](N[5]C[5])(S[5]C[5])(CHHP){4|H<1>}	C(C[5]N[5]S[5])(PC[6a]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]C){2|H<1>}	124.3000	0.000	1	124.3000	0.000	1	124.3000	0.000	1	124.1847	0.013	3	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:3:3:1:	3:2:	N[5]-2:N[5]-2:C-4:	C[5]-3:N-3:N-3:F-1:	C[5]-3:N[5]-2:	C[5](N[5]N[5])2(CFNN)	C(C[5]N[5]2)(NOO)2(F)	N[5](C[5]N[5]C)(N[5]N[5])	C[5](N[5]N[5])2(CFNN)	C(C[5]N[5]2)(NOO)2(F)	N[5](C[5]N[5]C)(N[5]N[5])	123.1183	2.295	6	123.1183	5.267	6	123.1183	5.267	6	123.1183	5.267	6	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:3:3:3:	3:2:	N[5]-2:N[5]-2:C-4:	C[5]-3:C-3:N-3:N-3:	C[5]-3:N[5]-2:	C[5](N[5]N[5])2(CCNN)	C(C[5]N[5]2)(CNN)(NOO)2	N[5](C[5]N[5]C)(N[5]N[5])	C[5](N[5]N[5])2(CCNN)	C(C[5]N[5]2)(CNN)(NOO)2	N[5](C[5]N[5]C)(N[5]N[5])	123.5885	0.375	2	123.5885	0.141	2	123.5885	0.141	2	123.4124	0.333	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:3:3:3:	3:2:	N[5]-2:N[5]-2:C-4:	C[5]-3:N-3:N-3:N-3:	C[5]-3:N[5]-2:	C[5](N[5]C[5])(N[5]N[5])(CN3)	C(C[5]N[5]2)(NOO)3	N[5](C[5]N[5]C)(N[5]C[5])	C[5](N[5]C[5])(N[5]N[5])(CN3){1|N<2>}	C(C[5]N[5]2)(NOO)3	N[5](C[5]N[5]C)(N[5]C[5]){1|N<2>}	123.5080	0.000	1	123.5080	0.000	1	123.2950	0.543	3	123.4124	0.333	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:3:3:3:	3:2:	N[5]-2:N[5]-2:C-4:	C[5]-3:N-3:N-3:N-3:	C[5]-3:N[5]-2:	C[5](N[5]N[5])2(CN3)	C(C[5]N[5]2)(NOO)3	N[5](C[5]N[5]C)(N[5]N[5])	C[5](N[5]N[5])2(CN3)	C(C[5]N[5]2)(NOO)3	N[5](C[5]N[5]C)(N[5]N[5])	123.1885	1.009	2	123.1885	1.018	2	123.2950	0.543	3	123.4124	0.333	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:3:3:3:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N-3:N-3:N-3:	C[5]-3:C[5]-3:	C[5](N[5]C[5])(N[5]N[5])(CN3)	C(C[5]N[5]2)(NOO)3	N[5](C[5]N[5]C)(C[5]N[5]N)	C[5](N[5]C[5])(N[5]N[5])(CN3){1|N<2>}	C(C[5]N[5]2)(NOO)3	N[5](C[5]N[5]C)(C[5]N[5]N)	120.7200	0.000	1	120.7200	0.000	1	120.7200	0.000	1	120.7200	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:3:3:4:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C)	C(C[5]N[5]O[5])2(C[5]C[5]2)(CH3)	N[5](C[5]C[5]CC)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])2(C[5]C[5]2)(CH3)	N[5](C[5]C[5]CC)(C[5]O[5]C){2|H<1>}	126.7320	0.564	2	126.7320	0.318	2	126.7320	0.318	2	126.7320	0.318	2	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:3:4:4:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CCHH)(CH3)	N[5](C[5]C[5]CH)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC[5]CC){1|C<4>,3|H<1>}	C(C[5]N[5]O[5])2(CCHH)(CH3)	N[5](C[5]C[5]CH)(C[5]O[5]C){2|H<1>}	127.5000	0.153	2	127.5000	0.023	2	126.8683	0.541	4	126.6946	0.364	7	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:3:4:4:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CH3)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC[5]CC){1|C<3>,3|H<1>}	C(C[5]N[5]O[5])2(CH3)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]C){2|C<3>,2|H<1>}	126.2365	0.067	2	126.2365	0.005	2	126.8683	0.541	4	126.6946	0.364	7	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:3:4:4:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C)	C(C[5]N[5]O[5])2(C[5]C[5]2H)(CH3)	N[5](C[5]C[5]CC)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])2(C[5]C[5]2H)(CH3)	N[5](C[5]C[5]CC)(C[5]O[5]C){2|H<1>}	126.2515	0.101	2	126.2515	0.010	2	126.4630	0.139	3	126.6946	0.364	7	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:3:4:4:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C)	C(C[5]N[5]O[5])2(C[5]C[5]2Ti)(CH3)	N[5](C[5]C[5]CC)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])2(C[5]C[5]2Ti)(CH3)	N[5](C[5]C[5]CC)(C[5]O[5]C){2|H<1>}	126.8860	0.000	1	126.8860	0.000	1	126.4630	0.139	3	126.6946	0.364	7	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:1:1:	3:2:	N[5]-2:N[5]-2:C-4:	C[5]-3:C-4:F-1:F-1:	C[5]-3:S[5]-2:	C[5](N[5]S[5])2(CCFF)	C(C[5]N[5]2)(CCFF)(F)2	N[5](C[5]N[5]C)(S[5]S[5])	C[5](N[5]S[5])2(CCFF)	C(C[5]N[5]2)(CCFF)(F)2	N[5](C[5]N[5]C)(S[5]S[5])	117.5770	0.276	2	117.5770	0.076	2	117.5770	0.076	2	121.3493	9.237	9	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:1:1:	3:2:	N[5]-2:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:	C[5](N[5]N[5])2(CCHH)	C(C[5]N[5]2)(CCHH)(H)2	N[5](C[5]N[5]C)(N[5]N[5])	C[5](N[5]N[5])2(CCHH)	C(C[5]N[5]2)(CCHH)(H)2	N[5](C[5]N[5]C)(N[5]N[5])	124.4600	0.269	2	124.4600	0.072	2	124.4600	0.072	2	121.3493	9.237	9	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:1:1:	3:2:	N[5]-2:N[5]-2:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-2:	C[5](N[5]N[5])2(CHHN)	C(C[5]N[5]2)(NH3)(H)2	N[5](C[5]N[5]C)(N[5]N[5])	C[5](N[5]N[5])2(CHHN)	C(C[5]N[5]2)(NH3)(H)2	N[5](C[5]N[5]C)(N[5]N[5])	124.1075	1.821	2	124.1075	3.315	2	124.1075	3.315	2	121.3493	9.237	9	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:1:1:	3:2:	N[5]-2:S[5]-2:C-4:	C[5]-3:C-4:F-1:F-1:	C[5]-3:S[5]-2:	C[5](N[5]S[5])(S[5]S[5])(CCFF)	C(C[5]N[5]S[5])(CCFF)(F)2	N[5](C[5]S[5]C)(S[5]S[5])	C[5](N[5]S[5])(S[5]S[5])(CCFF)	C(C[5]N[5]S[5])(CCFF)(F)2	N[5](C[5]S[5]C)(S[5]S[5])	118.9400	0.000	1	118.9400	0.000	1	119.9517	0.771	3	121.3493	9.237	9	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:1:1:	3:2:	N[5]-2:S[5]-2:C-4:	C[5]-3:C-4:F-1:F-1:	C[5]-3:S[5]-2:	C[5](N[5]S[5])(S[5]S[5])(CCFF)	C(C[5]N[5]S[5])(CC[5]FF)(F)2	N[5](C[5]S[5]C)(S[5]S[5])	C[5](N[5]S[5])(S[5]S[5])(CCFF)	C(C[5]N[5]S[5])(CC[5]FF)(F)2	N[5](C[5]S[5]C)(S[5]S[5])	120.5120	0.000	1	120.5120	0.000	1	119.9517	0.771	3	121.3493	9.237	9	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:1:1:	3:2:	N[5]-2:S[5]-2:C-4:	C[5]-3:C-4:F-1:F-1:	C[5]-3:S[5]-2:	C[5](N[5]S[5])(S[5]S[5])(CCFF)	C(C[5]N[5]S[5])(CF3)(F)2	N[5](C[5]S[5]C)(S[5]S[5])	C[5](N[5]S[5])(S[5]S[5])(CCFF)	C(C[5]N[5]S[5])(CF3)(F)2	N[5](C[5]S[5]C)(S[5]S[5])	120.4030	0.000	1	120.4030	0.000	1	119.9517	0.771	3	121.3493	9.237	9	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:	C[5](N[5]C[5,6])2(CCHH)	C(C[5]N[5]2)(CC[5]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)	C[5](N[5]C[5,6])2(CCHH){2|C<3>}	C(C[5]N[5]2)(CC[5]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C){1|C<2>,1|C<3>,1|H<1>}	126.0020	0.000	1	125.6900	0.195	2	125.6900	0.195	2	127.1818	6.041	12	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:	C[5](N[5]C[5,6])2(CCHH)	C(C[5]N[5]2)(CC[5]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)	C[5](N[5]C[5,6])2(CCHH){2|C<3>}	C(C[5]N[5]2)(CC[5]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C){1|H<1>,2|C<3>}	125.3780	0.000	1	125.6900	0.195	2	125.6900	0.195	2	127.1818	6.041	12	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:1:1:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a])2(CCHH)	C(C[5]N[5]2)(CC[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a])2(CCHH){2|C<3>}	C(C[5]N[5]2)(CC[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|H<1>,2|C<3>}	125.5305	1.141	2	125.5305	1.301	2	125.5305	1.301	2	127.1818	6.041	12	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:1:1:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]N[5])(O[5]C[5])(CCHH)	C(C[5]N[5]O[5])(CCHH)(H)2	N[5](C[5]O[5]C)(N[5]C[5]H)	C[5](N[5]N[5])(O[5]C[5])(CCHH){1|H<1>,1|S<1>}	C(C[5]N[5]O[5])(CCHH)(H)2	N[5](C[5]O[5]C)(N[5]C[5]H){1|S<1>}	128.5025	0.313	2	128.5025	0.098	2	129.2642	1.924	6	127.1818	6.041	12	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:1:1:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]N[5])(O[5]C[5])(CCHH)	C(C[5]N[5]O[5])(CC[6a]HH)(H)2	N[5](C[5]O[5]C)(N[5]C[5]H)	C[5](N[5]N[5])(O[5]C[5])(CCHH){1|H<1>,1|S<1>}	C(C[5]N[5]O[5])(CC[6a]HH)(H)2	N[5](C[5]O[5]C)(N[5]C[5]H){1|S<1>}	129.9837	1.789	3	129.9837	3.201	3	129.2642	1.924	6	127.1818	6.041	12	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:1:1:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]N[5])(O[5]C[5])(CCHH)	C(C[5]N[5]O[5])(CN[5a]HH)(H)2	N[5](C[5]O[5]C)(N[5]C[5]H)	C[5](N[5]N[5])(O[5]C[5])(CCHH){1|H<1>,1|S<1>}	C(C[5]N[5]O[5])(CN[5a]HH)(H)2	N[5](C[5]O[5]C)(N[5]C[5]H){1|S<1>}	128.6290	0.000	1	128.6290	0.000	1	129.2642	1.924	6	127.1818	6.041	12	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:1:1:	3:3:	N[5]-2:S[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]N[5])(S[5]C[5])(CCHH)	C(C[5]N[5]S[5])(CCHH)(H)2	N[5](N[5]C[5]Zn)(C[5]S[5]C)	C[5](N[5]N[5])(S[5]C[5])(CCHH){1|Zn<4>,1|N<3>}	C(C[5]N[5]S[5])(CCHH)(H)2	N[5](N[5]C[5]Zn)(C[5]S[5]C){1|N<3>}	124.0780	0.386	2	124.0780	0.149	2	124.0780	0.149	2	127.1818	6.041	12	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CCHH)	C(C[5]N[5]O[5])(CCCH)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CCHH){1|C<4>,3|H<1>}	C(C[5]N[5]O[5])(CCCH)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]C){2|H<1>}	128.2490	0.000	1	128.2490	0.000	1	127.6082	0.518	6	127.6082	0.518	6	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CCHH)	C(C[5]N[5]O[5])(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CCHH){4|H<1>}	C(C[5]N[5]O[5])(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]C){2|H<1>}	128.0570	0.294	2	128.0570	0.087	2	127.6082	0.518	6	127.6082	0.518	6	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CCHH)	C(C[5]N[5]O[5])(CCHH)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CCHH){1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5])(CCHH)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]O[5]C){2|C<3>,2|H<1>}	127.0953	0.672	3	127.0953	0.452	3	127.6082	0.518	6	127.6082	0.518	6	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:2:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:S-2:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CCHS)	C(C[5]N[5]O[5])(CC[6a]CH)(SC[6a])(H)	N[5](C[5]C[5]CC)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CCHS){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(CC[6a]CH)(SC[6a])(H)	N[5](C[5]C[5]CC)(C[5]O[5]C){2|H<1>}	125.5130	0.000	1	125.5130	0.000	1	125.5130	0.000	1	125.5130	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:3:1:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:N-3:H-1:	C[5]-3:N[5]-3:	C[5](N[5]N[5])(O[5]C[5])(CCHN)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	N[5](C[5]O[5]C)(N[5]C[5]H)	C[5](N[5]N[5])(O[5]C[5])(CCHN){1|H<1>,1|S<1>}	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	N[5](C[5]O[5]C)(N[5]C[5]H){1|S<1>}	127.6270	0.000	1	127.6270	0.000	1	128.2870	0.871	2	128.2870	0.871	2	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:3:1:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:N-3:H-1:	C[5]-3:N[5]-3:	C[5](N[5]N[5])(O[5]C[5])(CCHN)	C(C[5]N[5]O[5])(CCHH)(NCH)(H)	N[5](C[5]O[5]C)(N[5]C[5]H)	C[5](N[5]N[5])(O[5]C[5])(CCHN){1|H<1>,1|S<1>}	C(C[5]N[5]O[5])(CCHH)(NCH)(H)	N[5](C[5]O[5]C)(N[5]C[5]H){1|S<1>}	128.9470	0.000	1	128.9470	0.000	1	128.2870	0.871	2	128.2870	0.871	2	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:3:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:N-3:H-1:	C[5,6]-4:C[5]-3:	C[5](N[5]C[5,6])(O[5]C[5,6])(CCHN)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]C)	C[5](N[5]C[5,6])(O[5]C[5,6])(CCHN){1|C<3>,1|C<4>,1|N<2>}	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]C){1|H<1>,1|N<2>,4|C<3>}	127.9520	0.000	1	127.9520	0.000	1	127.9520	0.000	1	126.1197	1.162	9	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:3:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:N-3:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CCHN)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CCHN){1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]C){1|C<4>,1|H<1>}	125.8707	0.861	6	125.8707	0.742	6	125.7466	0.726	7	126.1197	1.162	9	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:3:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:N-3:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CCHN)	C(C[5]N[5]O[5])(CC[6]HH)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CCHN){1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5])(CC[6]HH)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]C){1|C<4>,1|H<1>}	125.0020	0.000	1	125.0020	0.000	1	125.7466	0.726	7	126.1197	1.162	9	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:3:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C[6]-4:N-3:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CC[6]HN)	C(C[5]N[5]O[5])(C[6]C[6]2H)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC[6]HN){1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5])(C[6]C[6]2H)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]C){1|C<4>,1|H<1>}	126.8990	0.000	1	126.8990	0.000	1	126.8990	0.000	1	126.1197	1.162	9	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:4:2:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:C-4:O-2:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CCCO)	C(C[5]N[5]O[5])(CH3)2(OP)	N[5](C[5]C[5]CC)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CCCO){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(CH3)2(OP)	N[5](C[5]C[5]CC)(C[5]O[5]C){2|H<1>}	126.4207	0.641	4	126.4207	0.410	4	126.4207	0.410	4	126.4207	0.410	4	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:4:4:	3:2:	N[5]-2:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-2:	C[5](N[5]N[5])(P[5]N[5])(CC3)	C(C[5]N[5]P[5])(CH3)3	N[5](C[5]P[5]C)(N[5]N[5])	C[5](N[5]N[5])(P[5]N[5])(CC3){1|C<4>}	C(C[5]N[5]P[5])(CH3)3	N[5](C[5]P[5]C)(N[5]N[5]){1|C<4>}	118.8164	0.616	5	118.8164	0.380	5	118.8164	0.380	5	118.8164	0.380	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:4:4:	3:3:	N[5]-2:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:	C[5](N[5]N[5])(P[5]N[5])(CC3)	C(C[5]N[5]P[5])(CH3)3	N[5](N[5]N[5]Re)(C[5]P[5]C)	C[5](N[5]N[5])(P[5]N[5])(CC3){1|Re<6>,1|C<4>}	C(C[5]N[5]P[5])(CH3)3	N[5](N[5]N[5]Re)(C[5]P[5]C){1|C<4>}	118.5590	0.000	1	118.5590	0.000	1	118.5590	0.000	1	121.2123	7.299	3	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:4:4:	3:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	N[5,6]-3:C[5]-3:	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC3)	C(C[5]N[5]O[5])(CH3)3	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C)	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C(C[5]N[5]O[5])(CH3)3	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C){1|N<3>,1|O<2>,3|C<4>}	121.1180	0.000	1	122.5390	4.038	2	122.5390	4.038	2	121.2123	7.299	3	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:4:4:	3:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	N[5,6]-3:C[5]-3:	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC3)	C(C[5]N[5]O[5])(CH3)3	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C)	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC3){1|N<3>,1|O<2>,2|C<4>}	C(C[5]N[5]O[5])(CH3)3	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C){1|N<3>,1|O<2>,4|C<4>}	123.9600	0.000	1	122.5390	4.038	2	122.5390	4.038	2	121.2123	7.299	3	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:4:4:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CC3)	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC3){1|C<4>,3|H<1>}	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]C){2|H<1>}	126.2750	0.000	1	126.2750	0.000	1	128.8826	2.310	5	128.8826	2.310	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:4:4:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CC3)	C(C[5]N[5]O[5])(CH3)3	N[5](C[5]C[5]2C)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC3){1|O<1>,2|C<4>}	C(C[5]N[5]O[5])(CH3)3	N[5](C[5]C[5]2C)(C[5]O[5]C){1|N<3>,1|O<1>,2|C<3>}	129.3080	0.000	1	129.3080	0.000	1	128.8826	2.310	5	128.8826	2.310	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:4:4:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CC3)	C(C[5]N[5]O[5])(CH3)3	N[5](C[5]C[5]CC)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC3){1|O<1>,2|C<4>}	C(C[5]N[5]O[5])(CH3)3	N[5](C[5]C[5]CC)(C[5]O[5]C){1|O<1>}	129.3535	0.528	2	129.3535	0.279	2	128.8826	2.310	5	128.8826	2.310	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	3:4:4:4:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CC3)	C(C[5]N[5]O[5])(CH3)3	N[5](C[5]C[5]HH)(C[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC3){1|C<3>,2|H<1>}	C(C[5]N[5]O[5])(CH3)3	N[5](C[5]C[5]HH)(C[5]O[5]C){1|C<3>}	130.1230	0.000	1	130.1230	0.000	1	128.8826	2.310	5	128.8826	2.310	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:2:4:	4:3:1:1:	3:2:	N[5]-2:N[5]-2:C-4:	N[6]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-2:	C[5](N[5]N[5])2(CN[6]HH)	C(N[6]C[6]2H)(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]N[5])	C[5](N[5]N[5])2(CN[6]HH)	C(N[6]C[6]2H)(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]N[5])	124.2710	1.715	2	124.2710	2.943	2	124.2710	2.943	2	124.2710	2.943	2	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:3:4:	3:1:1:1:	4:3:	N[5]-2:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5,6]-4:C[5]-3:	C[5](N[5]C[5,6])(C[5]C[5]I)(CF3)	C(C[5]C[5]N[5])(F)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)	C[5](N[5]C[5,6])(C[5]C[5]I)(CF3){3|C<3>}	C(C[5]C[5]N[5])(F)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]C){1|I<1>,2|H<1>,3|C<3>}	118.6410	0.000	1	118.6410	0.000	1	118.6410	0.000	1	122.0070	22.660	2	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	2:3:4:	3:1:1:1:	4:3:	N[5]-2:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](N[5]C[5,6])(N[5]C[5]C)(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]C)	C[5](N[5]C[5,6])(N[5]C[5]C)(CH3){1|O<1>,2|C<4>}	C(C[5]N[5]2)(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	125.3730	0.000	1	125.3730	0.000	1	125.3730	0.000	1	122.0070	22.660	2	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	2:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:	C[5](C[5]C[5,6]N)(N[5]O[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](O[5]C[5,6])(C[5]C[5]C)	C[5](C[5]C[5,6]N)(N[5]O[5])(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	N[5](O[5]C[5,6])(C[5]C[5]C){1|N<3>,2|C<4>}	119.3960	0.000	1	119.3960	0.000	1	119.3960	0.000	1	119.3960	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:N[5]-2:	C[5](C[5]C[5]H)(N[5]N[5])(CF3)	C(C[5]C[5]N[5])(F)3	N[5](C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]H)(N[5]N[5])(CF3){1|C<4>}	C(C[5]C[5]N[5])(F)3	N[5](C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>}	119.8960	0.386	2	119.8960	0.149	2	119.8960	0.149	2	121.3158	2.638	37	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>}	121.8076	0.853	5	121.8408	0.589	6	121.3273	1.086	21	121.3158	2.638	37	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|N<3>,1|S<2>,2|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]){1|C<4>,1|N<3>}	122.0070	0.000	1	121.8408	0.589	6	121.3273	1.086	21	121.3158	2.638	37	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:	C[5](C[5]C[5]Cl)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]Cl)(N[5]N[5])(CH3){1|C<4>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]){1|Cl<1>,1|C<4>}	122.8410	1.416	2	122.8410	2.004	2	121.3273	1.086	21	121.3158	2.638	37	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:	C[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<4>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>}	120.8558	0.591	6	120.8558	0.350	6	121.3273	1.086	21	121.3158	2.638	37	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:	C[5](C[5]C[5]Se)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]Se)(N[5]N[5])(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]){1|Se<2>,1|C<3>}	120.2150	0.556	3	120.6810	0.888	5	121.3273	1.086	21	121.3158	2.638	37	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:	C[5](C[5]C[5]Se)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]Se)(N[5]N[5])(CH3){1|C<4>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]){1|Se<2>,1|C<4>}	121.3800	1.141	2	120.6810	0.888	5	121.3273	1.086	21	121.3158	2.638	37	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:	C[5](C[5]C[5a]C[5])(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5a]C[5])(N[5]N[5])(CH3){1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>}	121.3035	1.372	2	121.3035	1.884	2	121.3273	1.086	21	121.3158	2.638	37	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:	C[5](C[5]C[5]C)(N[5]O[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5]C)(N[5]O[5])(CH3){1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(O[5]C[5]){1|C<3>,1|O<1>}	119.5972	0.334	6	119.7107	0.183	7	120.1754	0.704	10	121.3158	2.638	37	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:	C[5](C[5]C[5]C)(N[5]O[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5]C)(N[5]O[5])(CH3){2|H<1>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(O[5]C[5]){1|C<3>,2|H<1>}	120.3920	0.000	1	119.7107	0.183	7	120.1754	0.704	10	121.3158	2.638	37	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:	C[5](C[5]C[5]N)(N[5]O[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5]N)(N[5]O[5])(CH3){1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(O[5]C[5]){1|N<2>,1|O<1>}	121.2597	0.319	3	121.2597	0.101	3	120.1754	0.704	10	121.3158	2.638	37	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:	C[5](N[5]N[5]Th)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]N[5])	C[5](N[5]N[5]Th)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]N[5]){1|Th<14>}	124.5305	0.194	2	124.5305	0.038	2	124.8162	0.232	4	121.3158	2.638	37	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:2:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:	C[5](N[5]N[5]U)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]N[5])	C[5](N[5]N[5]U)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]N[5]){1|U<14>}	125.1020	0.577	2	125.1020	0.333	2	124.8162	0.232	4	121.3158	2.638	37	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:Cl-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]Se[5]Cl)(N[5]C[5])(CClHH)	C(C[5]C[5]N[5])(Cl)(H)2	N[5](C[5]C[6a]Se[5])(C[5]C[5]C)	C[5](C[5]Se[5]Cl)(N[5]C[5])(CClHH){1|C<3>}	C(C[5]C[5]N[5])(Cl)(H)2	N[5](C[5]C[6a]Se[5])(C[5]C[5]C){1|Cl<1>,2|C<3>}	118.2225	0.187	2	118.2225	0.035	2	118.2225	0.035	2	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a])(CH3){4|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,3|C<3>}	119.8100	0.000	1	119.8100	0.000	1	119.8100	0.000	1	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]C)(N[5]C[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)2	C[5](C[5]C[5]C)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)2{1|C<3>,1|H<1>}	122.0235	0.354	2	122.0235	0.126	2	122.2316	4.603	7	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(N[5]C[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)2	C[5](C[5]C[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)2{2|H<1>}	122.3580	0.349	2	122.3580	0.122	2	122.2316	4.603	7	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(N[5]C[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]H)(N[5]C[5])(CH3){2|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(C[5]C[5]C){1|H<1>,1|N<2>,2|C<3>}	121.2040	0.000	1	121.2040	0.000	1	122.2316	4.603	7	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]H)(N[5]C[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5])(CH3){1|H<1>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(C[5]N[5]H){1|H<1>}	119.2570	0.000	1	119.2570	0.000	1	122.2316	4.603	7	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]O[5]O)(N[5]C[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(C[5]O[5]C)	C[5](C[5]O[5]O)(N[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(C[5]O[5]C){1|O<1>}	126.3970	0.000	1	126.3970	0.000	1	122.2316	4.603	7	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|O<1>}	118.5565	0.090	2	118.5565	0.008	2	121.7444	2.012	15	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C){1|N<2>,1|O<1>}	122.2627	0.602	9	122.1386	0.367	11	121.7444	2.012	15	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C){1|N<2>,1|O<1>}	121.5805	0.033	2	122.1386	0.367	11	121.7444	2.012	15	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]H)	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]H){1|N<2>,1|O<1>}	122.7640	0.619	2	122.7640	0.384	2	121.7444	2.012	15	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|C<3>}	120.4630	0.000	1	120.1930	0.146	2	119.0993	1.817	112	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|C<3>}	119.9230	0.000	1	120.1930	0.146	2	119.0993	1.817	112	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|C<3>}	118.7791	0.867	81	118.6560	0.837	91	119.0993	1.817	112	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<2>,1|V<8>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<2>,1|V<8>,3|C<3>}	119.1870	0.000	1	118.6560	0.837	91	119.0993	1.817	112	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Gd<14>,1|C<3>,1|O<2>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|Gd<14>,1|C<4>,1|O<2>,2|C<3>}	117.4180	0.167	2	118.6560	0.837	91	119.0993	1.817	112	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Tb<14>,1|C<3>,1|O<2>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|Tb<14>,1|C<4>,1|O<2>,2|C<3>}	117.1525	0.194	2	118.6560	0.837	91	119.0993	1.817	112	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Tm<14>,1|C<3>,1|O<2>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|Tm<14>,1|C<4>,1|O<2>,2|C<3>}	117.4035	0.887	2	118.6560	0.837	91	119.0993	1.817	112	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){2|Gd<14>,1|C<3>,1|O<3>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){2|Gd<14>,1|C<4>,1|O<3>,2|C<3>}	117.7810	0.000	1	118.6560	0.837	91	119.0993	1.817	112	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){2|Tb<14>,1|C<3>,1|O<3>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){2|Tb<14>,1|C<4>,1|O<3>,2|C<3>}	117.9450	0.000	1	118.6560	0.837	91	119.0993	1.817	112	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){2|Tm<14>,1|C<3>,1|O<3>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){2|Tm<14>,1|C<4>,1|O<3>,2|C<3>}	117.7270	0.000	1	118.6560	0.837	91	119.0993	1.817	112	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|C<3>}	118.2920	0.242	2	118.7413	0.635	3	119.0993	1.817	112	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|C<3>}	119.6400	0.000	1	118.7413	0.635	3	119.0993	1.817	112	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	120.4490	0.000	1	120.4490	0.000	1	119.0993	1.817	112	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|N<2>,1|O<1>,2|C<3>}	121.8305	0.295	8	122.0073	0.208	10	119.0993	1.817	112	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|N<2>}	122.7145	0.114	2	122.0073	0.208	10	119.0993	1.817	112	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]P)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]P)(N[5]N[5])(CH3){1|Ce<13>,1|C<3>,1|O<2>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|Ce<13>,1|O<2>,1|P<5>,2|C<3>}	120.6857	0.289	3	120.7428	0.069	4	119.0993	1.817	112	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]P)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]P)(N[5]N[5])(CH3){1|Ce<16>,1|C<3>,1|O<2>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|Ce<16>,1|O<2>,1|P<5>,2|C<3>}	120.9140	0.000	1	120.7428	0.069	4	119.0993	1.817	112	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]S)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]S)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,1|S<2>,2|C<3>}	121.3280	0.000	1	121.3280	0.000	1	119.0993	1.817	112	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5,6]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5,6]C[5,6]N[6])(N[5]N[5])(CH3)	C(C[5]N[5,6]N[5])(H)3	N[5](N[5]C[5,6]Ru)(C[5]N[5,6]C)	C[5](N[5,6]C[5,6]N[6])(N[5]N[5])(CH3){1|Ru<6>,1|C<3>,1|S<2>}	C(C[5]N[5,6]N[5])(H)3	N[5](N[5]C[5,6]Ru)(C[5]N[5,6]C){1|N<2>,1|S<2>}	126.2700	0.000	1	126.2700	0.000	1	126.2700	0.000	1	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:Cl-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]C)(N[5]N[5])(CClHH)	C(C[5]N[5]2)(Cl)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]C)(N[5]N[5])(CClHH){1|C<4>,1|H<1>}	C(C[5]N[5]2)(Cl)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){2|C<4>}	124.3267	2.051	3	124.3267	4.205	3	124.3267	4.205	3	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(N[5]C[5])(CF3)	C(C[5]N[5]2)(F)3	N[5](C[5]N[5]C)2	C[5](N[5]C[6a]N[5])(N[5]C[5])(CF3){1|C<4>,3|C<3>}	C(C[5]N[5]2)(F)3	N[5](C[5]N[5]C)2{2|C<3>}	122.1660	0.000	1	122.1660	0.000	1	123.0567	0.770	7	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(N[5]C[5])(CF3)	C(C[5]N[5]2)(F)3	N[5](C[5]N[5]C)2	C[5](N[5]N[5]B)(N[5]C[5])(CF3){1|Cu<4>,1|C<4>}	C(C[5]N[5]2)(F)3	N[5](C[5]N[5]C)2{1|Cu<4>,1|B<4>}	123.6470	0.390	3	123.6470	0.152	3	123.0567	0.770	7	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]Cu)(N[5]C[5])(CF3)	C(C[5]N[5]2)(F)3	N[5](C[5]N[5]C)2	C[5](N[5]N[5]Cu)(N[5]C[5])(CF3){1|B<4>,1|C<4>}	C(C[5]N[5]2)(F)3	N[5](C[5]N[5]C)2{1|Cu<4>,1|B<4>}	122.7633	1.053	3	122.7633	1.109	3	123.0567	0.770	7	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]Cu)(N[5]N[5])(CF3)	C(C[5]N[5]2)(F)3	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]Cu)(N[5]N[5])(CF3){1|C<3>,1|H<1>}	C(C[5]N[5]2)(F)3	N[5](C[5]N[5]C)(N[5]C[5]H){1|Cu<4>,1|C<3>}	120.6523	0.556	3	120.6523	0.310	3	120.6523	0.310	3	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-3:	C[5](N[5]C[5]Cu)(N[5]N[5])(CF3)	C(C[5]N[5]2)(F)3	N[5](N[5]C[5]Cu)(C[5]N[5]C)	C[5](N[5]C[5]Cu)(N[5]N[5])(CF3){1|Cu<4>,1|C<3>}	C(C[5]N[5]2)(F)3	N[5](N[5]C[5]Cu)(C[5]N[5]C){1|Cu<4>,1|C<3>}	122.5420	0.000	1	122.5420	0.000	1	122.5420	0.000	1	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]C)	C[5](N[5]C[5]C)(N[5]C[5])(CH3){1|C<3>,1|O<1>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]C){1|C<4>,1|O<1>}	124.8842	0.555	52	124.8842	0.308	52	124.3620	1.578	117	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(N[5]C[5])(CH3){1|O<1>,3|C<3>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]C){1|C<3>,1|O<1>}	124.2450	1.949	3	124.2450	3.797	3	124.3620	1.578	117	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Co<6>,1|C<3>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Co<6>,1|B<4>,2|C<3>}	125.0530	0.000	1	124.6891	0.576	24	124.3620	1.578	117	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Fe<6>,1|C<3>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Fe<6>,1|B<4>,2|C<3>}	124.6960	0.000	1	124.6891	0.576	24	124.3620	1.578	117	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Mn<6>,1|C<3>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Mn<6>,1|B<4>,2|C<3>}	124.6240	0.000	1	124.6891	0.576	24	124.3620	1.578	117	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Ni<5>,1|C<3>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Ni<5>,1|B<4>,2|C<3>}	125.5600	0.786	3	124.6891	0.576	24	124.3620	1.578	117	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Ni<6>,1|C<3>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Ni<6>,1|B<4>,2|C<3>}	124.6813	0.822	6	124.6891	0.576	24	124.3620	1.578	117	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Ru<9>,1|C<3>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Ru<9>,1|B<4>,2|C<3>}	123.1250	0.000	1	124.6891	0.576	24	124.3620	1.578	117	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Zn<4>,1|C<3>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Zn<4>,1|B<4>,2|C<3>}	124.4487	0.660	6	124.6891	0.576	24	124.3620	1.578	117	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Zn<5>,1|C<3>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Zn<5>,1|B<4>,2|C<3>}	124.7080	0.788	3	124.6891	0.576	24	124.3620	1.578	117	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Zn<6>,1|C<3>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Zn<6>,1|B<4>,2|C<3>}	124.7280	0.000	2	124.6891	0.576	24	124.3620	1.578	117	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)2	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Ru<9>,1|C<4>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)2{1|Ru<9>,1|B<4>}	121.0763	0.546	6	123.6813	3.035	23	124.3620	1.578	117	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)2	C[5](N[5]N[5]B)(N[5]C[5])(CH3){1|Zn<4>,1|C<4>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)2{1|Zn<4>,1|B<4>}	124.6008	0.798	17	123.6813	3.035	23	124.3620	1.578	117	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]Cr)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)2	C[5](N[5]N[5]Cr)(N[5]C[5])(CH3){1|C<4>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)2{1|Cr<8>}	124.9110	0.000	1	124.9110	0.000	1	124.3620	1.578	117	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]Ni)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](N[5]N[5]Ni)(N[5]C[5])(CH3){1|B<4>,1|C<3>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Ni<6>,1|B<4>,2|C<3>}	121.3540	0.000	1	121.3540	0.000	1	124.3620	1.578	117	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]Ru)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](N[5]N[5]Ru)(N[5]C[5])(CH3){1|B<4>,1|C<3>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Ru<9>,1|B<4>,2|C<3>}	122.5150	0.000	1	122.5150	0.000	1	124.3620	1.578	117	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]Ru)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)2	C[5](N[5]N[5]Ru)(N[5]C[5])(CH3){1|B<4>,1|C<4>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)2{1|Ru<9>,1|B<4>}	121.8798	0.570	6	121.8798	0.325	6	124.3620	1.578	117	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]Ti)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)2	C[5](N[5]N[5]Ti)(N[5]C[5])(CH3){1|C<4>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)2{1|Ti<8>}	124.4974	0.395	5	124.4974	0.156	5	124.3620	1.578	117	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]Zn)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)2	C[5](N[5]N[5]Zn)(N[5]C[5])(CH3){1|B<4>,1|C<4>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)2{1|Zn<4>,1|B<4>}	123.8820	0.000	1	123.8820	0.000	1	124.3620	1.578	117	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]B[5x3,4,9x5,6,6]N[5])(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]N[5]C)	C[5](N[5]B[5x3,4,9x5,6,6]N[5])(N[5]N[5])(CH3){1|B<5>,1|C<4>,4|B<6>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]N[5]C){1|B<6>}	125.3130	0.000	1	125.3130	0.000	1	125.2212	0.725	66	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]B)	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|B<4>,1|S<1>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]B){1|C<4>,1|S<1>}	124.3782	0.799	6	124.7581	0.322	30	125.2212	0.725	66	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]B)	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|B<4>,1|S<2>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]B){1|C<4>,1|S<2>}	124.8531	0.470	24	124.7581	0.322	30	125.2212	0.725	66	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|H<1>,1|S<1>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<4>,1|S<1>}	125.1975	0.518	2	125.1975	0.269	2	125.2212	0.725	66	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]H)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]H)(N[5]N[5])(CH3){1|H<1>,1|N<2>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|N<2>}	125.3990	0.000	1	125.3990	0.000	1	125.2212	0.725	66	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]Ir)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]C)	C[5](N[5]C[5]Ir)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]C){1|Ir<6>,1|C<3>}	121.8500	0.000	1	121.8500	0.000	1	125.2212	0.725	66	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]C)	C[5](N[5]C[5]N)(N[5]N[5])(CH3){1|C<4>,1|S<1>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]C){1|N<2>,1|S<1>}	125.7185	0.455	6	125.6759	0.163	8	125.2212	0.725	66	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]C)	C[5](N[5]C[5]N)(N[5]N[5])(CH3){1|C<4>,1|S<1>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]C){1|N<3>,1|S<1>}	125.5480	0.253	2	125.6759	0.163	8	125.2212	0.725	66	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]N)(N[5]N[5])(CH3){1|H<1>,1|S<1>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<2>,1|S<1>}	126.0231	0.470	17	125.9747	0.269	19	125.2212	0.725	66	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]N)(N[5]N[5])(CH3){1|H<1>,1|S<1>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<3>,1|S<1>}	126.2470	0.000	1	125.9747	0.269	19	125.2212	0.725	66	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]N)(N[5]N[5])(CH3){1|H<1>,1|S<2>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<4>,1|S<2>}	124.8800	0.000	1	125.9747	0.269	19	125.2212	0.725	66	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]B)	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3){1|B<4>,1|S<2>,2|C<3>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]C[5]B){1|C<3>,1|S<2>}	125.2220	0.447	3	125.2220	0.200	3	125.2212	0.725	66	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]N[5]C)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]N[5]N)	C[5](N[5]N[5]C)(N[5]N[5])(CH3){1|N<3>}	C(C[5]N[5]2)(H)3	N[5](C[5]N[5]C)(N[5]N[5]N){1|C<4>}	124.3070	0.000	1	124.3070	0.000	1	125.2212	0.725	66	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5]-3:	C[5](N[5]C[5,5]H)(N[5]N[5,5])(CH3)	C(C[5]N[5]2)(H)3	N[5](N[5,5]C[5,5]C[5])(C[5]N[5]C)	C[5](N[5]C[5,5]H)(N[5]N[5,5])(CH3){1|C<3>,1|N<3>}	C(C[5]N[5]2)(H)3	N[5](N[5,5]C[5,5]C[5])(C[5]N[5]C){1|C<3>,1|H<1>,2|N<3>}	122.6600	0.000	1	122.6600	0.000	1	122.6600	0.000	1	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,5a]-3:C[5]-3:	C[5](N[5]C[5,5a]H)(N[5]N[5,5a])(CH3)	C(C[5]N[5]2)(H)3	N[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]C)	C[5](N[5]C[5,5a]H)(N[5]N[5,5a])(CH3){1|C<3>,1|N<3>}	C(C[5]N[5]2)(H)3	N[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]C){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.8350	0.000	1	123.8350	0.000	1	123.8350	0.000	1	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](N[5]C[5]Rh)(C[5]N[5]C)	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|Rh<4>,1|S<2>}	C(C[5]N[5]2)(H)3	N[5](N[5]C[5]Rh)(C[5]N[5]C){1|C<4>,1|S<2>}	124.4860	0.167	3	124.7264	0.189	9	124.2095	1.872	20	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](N[5]C[5]Rh)(C[5]N[5]C)	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|Rh<6>,1|S<2>}	C(C[5]N[5]2)(H)3	N[5](N[5]C[5]Rh)(C[5]N[5]C){1|C<4>,1|S<2>}	124.6940	0.537	4	124.7264	0.189	9	124.2095	1.872	20	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](N[5]C[5]Rh)(C[5]N[5]C)	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|Rh<6>,1|S<3>}	C(C[5]N[5]2)(H)3	N[5](N[5]C[5]Rh)(C[5]N[5]C){1|C<4>,1|S<3>}	125.1520	0.225	2	124.7264	0.189	9	124.2095	1.872	20	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](N[5]C[6a]C[5])(C[5]N[5]C)	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C(C[5]N[5]2)(H)3	N[5](N[5]C[6a]C[5])(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	124.2625	0.033	2	124.2625	0.001	2	124.2095	1.872	20	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](N[5]C[5]Cu)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3){1|Cu<6>,3|C<3>}	C(C[5]N[5]2)(H)3	N[5](N[5]C[5]Cu)(C[5]N[5]C){2|C<3>}	126.0060	0.000	1	126.0060	0.000	1	124.2095	1.872	20	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](N[5]C[5]Zn)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3){1|Zn<4>,1|C<4>,2|C<3>}	C(C[5]N[5]2)(H)3	N[5](N[5]C[5]Zn)(C[5]N[5]C){1|C<3>,1|C<4>}	124.6585	0.057	2	124.6585	0.003	2	124.2095	1.872	20	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](N[5]C[6a]C[5])(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3){3|C<3>}	C(C[5]N[5]2)(H)3	N[5](N[5]C[6a]C[5])(C[5]N[5]C){3|C<3>}	125.3600	0.000	1	125.3600	0.000	1	124.2095	1.872	20	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]N[5]Ir)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](N[5]N[5]Ir)(C[5]N[5]C)	C[5](N[5]N[5]Ir)(N[5]N[5])(CH3){1|Ir<8>}	C(C[5]N[5]2)(H)3	N[5](N[5]N[5]Ir)(C[5]N[5]C){1|Ir<8>}	119.4600	0.000	1	119.4600	0.000	1	124.2095	1.872	20	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]N[5]Rh)(N[5]N[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](N[5]N[5]Rh)(C[5]N[5]C)	C[5](N[5]N[5]Rh)(N[5]N[5])(CH3){1|Rh<8>}	C(C[5]N[5]2)(H)3	N[5](N[5]N[5]Rh)(C[5]N[5]C){1|Rh<8>}	123.2460	0.370	4	123.2460	0.137	4	124.2095	1.872	20	122.5993	8.069	357	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(N[5]C[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]H)(N[5]C[5])(CH3){3|C<4>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]CC)(C[5]C[5]C){1|C<4>,1|H<1>}	122.6760	0.000	1	122.6760	0.000	1	122.6760	0.000	1	123.8542	1.161	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	4:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]H)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]H)(N[5]C[5])(CH3){4|H<1>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]C){3|H<1>}	123.3430	0.000	1	123.3430	0.000	1	124.1488	0.970	4	123.8542	1.161	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	4:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]O)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]C)	C[5](N[5]C[5]O)(N[5]C[5])(CH3){4|C<4>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]C){1|O<2>,2|C<4>}	125.5410	0.000	1	125.5410	0.000	1	124.1488	0.970	4	123.8542	1.161	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	4:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]S)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]S)(N[5]C[5])(CH3){1|C<3>,3|H<1>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]C){1|S<4>,2|C<3>,2|H<1>}	124.1290	0.000	1	123.8555	0.150	2	124.1488	0.970	4	123.8542	1.161	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:1:1:1:	4:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]S)(N[5]C[5])(CH3)	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]S)(N[5]C[5])(CH3){2|C<3>,2|H<1>}	C(C[5]N[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]C){1|H<1>,1|S<4>,3|C<3>}	123.5820	0.000	1	123.8555	0.150	2	124.1488	0.970	4	123.8542	1.161	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:2:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]Se[5]H)(N[5]C[5])(CHHO)	C(C[5]C[5]N[5])(OH)(H)2	N[5](C[5]C[6a]Se[5])(C[5]C[5]C)	C[5](C[5]Se[5]H)(N[5]C[5])(CHHO){1|C<3>}	C(C[5]C[5]N[5])(OH)(H)2	N[5](C[5]C[6a]Se[5])(C[5]C[5]C){1|H<1>,2|C<3>}	119.0470	0.000	1	119.0470	0.000	1	119.0470	0.000	1	124.6112	6.918	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:2:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]C)(N[5]N[5])(CHHO)	C(C[5]C[5]N[5])(OC[5a])(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]N[5])(CHHO){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(OC[5a])(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,3|C<3>}	121.6370	0.000	1	121.6370	0.000	1	121.5360	1.894	3	124.6112	6.918	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:2:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]N[5]H)(N[5]N[5])(CHHO)	C(C[5]C[5]N[5])(OC[6a])(H)2	N[5](N[5]N[5]Re)(C[5]C[5]C)	C[5](C[5]N[5]H)(N[5]N[5])(CHHO){1|Re<6>,1|C<4>}	C(C[5]C[5]N[5])(OC[6a])(H)2	N[5](N[5]N[5]Re)(C[5]C[5]C){1|C<4>,1|H<1>}	121.4855	1.942	2	121.4855	3.773	2	121.5360	1.894	3	124.6112	6.918	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:2:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]H)(N[5]N[5])(CHHO)	C(C[5]N[5]2)(ON)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]H)(N[5]N[5])(CHHO){1|H<1>,1|N<2>}	C(C[5]N[5]2)(ON)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|N<2>}	125.4590	0.000	1	125.4590	0.000	1	126.0633	3.001	9	124.6112	6.918	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:2:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(N[5]N[5])(CHHO)	C(C[5]N[5]2)(OC[6a])(H)2	N[5](C[5]N[5]C)(N[5]C[5]C)	C[5](N[5]C[5]N)(N[5]N[5])(CHHO){1|C<4>,1|S<1>}	C(C[5]N[5]2)(OC[6a])(H)2	N[5](C[5]N[5]C)(N[5]C[5]C){1|N<3>,1|S<1>}	127.0660	0.000	1	127.0660	0.000	1	126.0633	3.001	9	124.6112	6.918	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:2:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(N[5]N[5])(CHHO)	C(C[5]N[5]2)(OC[6a])(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]N)(N[5]N[5])(CHHO){1|H<1>,1|S<1>}	C(C[5]N[5]2)(OC[6a])(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<3>,1|S<1>}	126.7454	1.793	5	126.7454	3.214	5	126.0633	3.001	9	124.6112	6.918	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:2:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CHHO)	C(C[5]N[5]2)(OC[6a])(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[6a]C[5])(N[5]N[5])(CHHO){1|H<1>,1|S<1>,2|C<3>}	C(C[5]N[5]2)(OC[6a])(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<3>,1|S<1>}	124.1590	0.451	2	124.1590	0.204	2	126.0633	3.001	9	124.6112	6.918	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:2:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5])(CHHO)	C(C[5]N[5]2)(OH)(H)2	N[5](N[5]C[5]Ni)(C[5]N[5]C)	C[5](N[5]C[5]N)(N[5]N[5])(CHHO){1|Ni<6>,1|C<4>}	C(C[5]N[5]2)(OH)(H)2	N[5](N[5]C[5]Ni)(C[5]N[5]C){1|C<4>,1|N<3>}	125.4770	0.458	2	125.4770	0.210	2	125.5860	0.141	3	124.6112	6.918	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:2:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CHHO)	C(C[5]N[5]2)(OC)(H)2	N[5](N[5]C[5]Cu)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(N[5]N[5])(CHHO){1|Cu<4>,3|C<3>}	C(C[5]N[5]2)(OC)(H)2	N[5](N[5]C[5]Cu)(C[5]N[5]C){2|C<3>}	125.8040	0.000	1	125.8040	0.000	1	125.5860	0.141	3	124.6112	6.918	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:2:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:S-2:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]C)(N[5]N[5])(CHHS)	C(C[5]N[5]2)(SC[5a])(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]C)(N[5]N[5])(CHHS){1|H<1>,1|S<1>}	C(C[5]N[5]2)(SC[5a])(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<4>,1|S<1>}	123.4070	0.000	1	123.4070	0.000	1	123.4070	0.000	1	124.6112	6.918	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-2:	C[5](C[5]C[5]H)(N[5]N[5])(CHHN)	C(C[5]C[5]N[5])(NCC)(H)2	N[5](C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]H)(N[5]N[5])(CHHN){1|C<4>}	C(C[5]C[5]N[5])(NCC)(H)2	N[5](C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>}	116.2295	0.193	2	116.2295	0.037	2	116.2295	0.037	2	116.2295	0.037	2	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5]C[5]C)(N[5]N[5])(CCHH)	C(C[5]C[5]N[5])(COO)(H)2	N[5](C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5]C)(N[5]N[5])(CCHH){1|C<4>,1|O<1>}	C(C[5]C[5]N[5])(COO)(H)2	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|O<1>}	120.1290	0.000	1	120.1290	0.000	1	120.1290	0.000	1	123.0916	4.134	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(N[5]C[5])(CHHN)	C(C[5]C[5]N[5])(NCC)(H)2	N[5](C[5]C[5]C)2	C[5](C[5]C[5]H)(N[5]C[5])(CHHN){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(NCC)(H)2	N[5](C[5]C[5]C)2{2|H<1>}	121.6408	0.808	5	121.6408	0.652	5	121.6408	0.652	5	123.0916	4.134	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:P-3:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(N[5]C[5])(CHHP)	C(C[5]C[5]N[5])(PCC)(H)2	N[5](C[5]C[5]C)2	C[5](C[5]C[5]H)(N[5]C[5])(CHHP){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(PCC)(H)2	N[5](C[5]C[5]C)2{2|H<1>}	121.8455	0.008	2	121.8455	0.000	2	121.8455	0.000	2	123.0916	4.134	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]H)(N[5]N[5])(CCHH)	C(C[5]N[5]2)(COO)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]H)(N[5]N[5])(CCHH){1|H<1>,1|N<3>}	C(C[5]N[5]2)(COO)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|N<3>}	125.3890	0.000	1	125.3890	0.000	1	123.9320	4.246	2	123.0916	4.134	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]Ni)(N[5]N[5])(CCHH)	C(C[5]N[5]2)(COO)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]Ni)(N[5]N[5])(CCHH){1|H<1>,1|N<3>}	C(C[5]N[5]2)(COO)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|Ni<6>,1|N<3>}	122.4750	0.000	1	122.4750	0.000	1	123.9320	4.246	2	123.0916	4.134	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]Co)(N[5]N[5])(CC[5]HH)	C(C[5]N[5]2)2(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]Co)(N[5]N[5])(CC[5]HH){1|H<1>,1|N<2>}	C(C[5]N[5]2)2(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|Co<6>,1|N<2>}	123.1780	0.000	1	123.1780	0.000	1	123.4357	0.667	3	123.0916	4.134	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]H)(N[5]N[5])(CC[5]HH)	C(C[5]N[5]2)2(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]H)(N[5]N[5])(CC[5]HH){1|H<1>,1|N<3>}	C(C[5]N[5]2)2(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|N<3>}	123.5645	1.111	2	123.5645	1.234	2	123.4357	0.667	3	123.0916	4.134	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(N[5]N[5])(CHHN)	C(C[5]N[5]2)(NCH)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]N)(N[5]N[5])(CHHN){1|H<1>,1|S<1>}	C(C[5]N[5]2)(NCH)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<2>,1|S<1>}	127.5310	0.000	1	125.9815	4.802	2	126.1547	2.491	3	123.0916	4.134	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(N[5]N[5])(CHHN)	C(C[5]N[5]2)(NCH)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]N)(N[5]N[5])(CHHN){1|H<1>,1|S<1>}	C(C[5]N[5]2)(NCH)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<3>,1|S<1>}	124.4320	0.000	1	125.9815	4.802	2	126.1547	2.491	3	123.0916	4.134	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(N[5]N[5])(CHHN)	C(C[5]N[5]2)(NC[6a]H)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]N)(N[5]N[5])(CHHN){1|H<1>,1|S<1>}	C(C[5]N[5]2)(NC[6a]H)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<3>,1|S<1>}	126.5010	0.000	1	126.5010	0.000	1	126.1547	2.491	3	123.0916	4.134	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(N[5]N[5])(CN[5]HH)	C(C[5]N[5]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]N)(N[5]N[5])(CN[5]HH){1|H<1>,1|S<1>}	C(C[5]N[5]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<3>,1|S<1>}	123.8990	0.000	1	123.8990	0.000	1	123.8990	0.000	1	123.0916	4.134	17	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:1:1:	4:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:P-3:H-1:H-1:	P[5]-4:C[5]-3:	C[5](C[5]C[5]P)(N[5]P[5])(CHHP)	C(C[5]C[5]N[5])(PCC)(H)2	N[5](P[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]P)(N[5]P[5])(CHHP){1|N<2>,2|C<4>}	C(C[5]C[5]N[5])(PCC)(H)2	N[5](P[5]C[5]CC)(C[5]C[5]C){1|N<2>,1|P<3>}	116.1150	0.000	1	116.1150	0.000	1	116.1150	0.000	1	116.1150	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:3:3:	4:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:N-3:N-3:N-3:	C[5,6]-4:C[5]-3:	C[5](N[5]C[5,6]N)(N[5]C[5,6])(CN3)	C(C[5]N[5]2)(NOO)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)	C[5](N[5]C[5,6]N)(N[5]C[5,6])(CN3){2|C<4>,2|H<1>}	C(C[5]N[5]2)(NOO)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C){1|N<3>,2|C<4>,3|H<1>}	119.8065	0.269	2	119.8065	0.073	2	119.8065	0.073	2	120.1754	0.224	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:3:3:	4:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:N-3:N-3:N-3:	C[5]-4:C[5]-3:	C[5](N[5]C[5]N)(N[5]C[5])(CN3)	C(C[5]N[5]2)(NOO)3	N[5](C[5]C[5]CH)(C[5]N[5]C)	C[5](N[5]C[5]N)(N[5]C[5])(CN3){1|C<4>,3|H<1>}	C(C[5]N[5]2)(NOO)3	N[5](C[5]C[5]CH)(C[5]N[5]C){1|N<3>,2|H<1>}	120.6540	0.216	2	120.6540	0.047	2	120.4213	0.186	3	120.1754	0.224	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:3:3:	4:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:N-3:N-3:N-3:	C[5]-4:C[5]-3:	C[5](N[5]C[5]N)(N[5]C[5])(CN3)	C(C[5]N[5]2)(NOO)3	N[5](C[5]C[5]HO)(C[5]N[5]C)	C[5](N[5]C[5]N)(N[5]C[5])(CN3){2|H<1>,2|O<2>}	C(C[5]N[5]2)(NOO)3	N[5](C[5]C[5]HO)(C[5]N[5]C){1|H<1>,1|N<3>,1|O<2>}	119.9560	0.000	1	119.9560	0.000	1	120.4213	0.186	3	120.1754	0.224	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:3:4:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]2C)	C(C[5]C[5]N[5])3(CH3)	N[5](C[5]C[5]C)2	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]2C){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])3(CH3)	N[5](C[5]C[5]C)2{2|H<1>}	122.9367	0.588	3	122.9367	0.345	3	122.9367	0.345	3	122.9367	0.345	3	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:4:4:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC)	C(C[5]C[5,5]P[5])(C[5]C[5]N[5])(CH3)2	N[5](C[5]C[5]C)2	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC){1|C<3>,1|H<1>}	C(C[5]C[5,5]P[5])(C[5]C[5]N[5])(CH3)2	N[5](C[5]C[5]C)2{2|H<1>}	119.4860	0.000	1	119.4860	0.000	1	121.3017	2.510	6	121.3017	2.510	6	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:4:4:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC)	C(C[5]C[5]N[5])2(CCHH)2	N[5](C[5]C[5]C)2	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])2(CCHH)2	N[5](C[5]C[5]C)2{2|H<1>}	121.1670	1.101	4	121.1670	1.212	4	121.3017	2.510	6	121.3017	2.510	6	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:3:4:4:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC)	C(C[5]C[5]N[5])2(CH3)2	N[5](C[5]C[5]C)2	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])2(CH3)2	N[5](C[5]C[5]C)2{2|H<1>}	123.6560	0.000	1	123.6560	0.000	1	121.3017	2.510	6	121.3017	2.510	6	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-2:	C[5](C[5]C[5]H)(N[5]C[5])(CCHH)	C(C[5]C[5]N[5])(CC[5]HH)(H)2	N[5](C[5]C[5]C)(C[5]C[5])	C[5](C[5]C[5]H)(N[5]C[5])(CCHH){1|H<1>}	C(C[5]C[5]N[5])(CC[5]HH)(H)2	N[5](C[5]C[5]C)(C[5]C[5]){2|H<1>}	125.5870	0.000	1	125.5870	0.000	1	125.5870	0.000	1	124.9343	0.658	3	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:2:	N[5]-3:N[5]-2:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-2:	C[5](N[5]N[5]Cd)(N[5]N[5])(CHHN)	C(C[5]N[5]2)(NCdCH)(H)2	N[5](C[5]N[5]C)(N[5]N[5])	C[5](N[5]N[5]Cd)(N[5]N[5])(CHHN){1|Cd<6>}	C(C[5]N[5]2)(NCdCH)(H)2	N[5](C[5]N[5]C)(N[5]N[5]){2|Cd<6>}	124.0260	0.000	1	124.0260	0.000	1	124.6080	0.677	2	124.9343	0.658	3	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:2:	N[5]-3:N[5]-2:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-2:	C[5](N[5]N[5]Mn)(N[5]N[5])(CHHN)	C(C[5]N[5]2)(NMnCH)(H)2	N[5](C[5]N[5]C)(N[5]N[5])	C[5](N[5]N[5]Mn)(N[5]N[5])(CHHN){1|Mn<6>}	C(C[5]N[5]2)(NMnCH)(H)2	N[5](C[5]N[5]C)(N[5]N[5]){2|Mn<6>}	125.1900	0.000	1	125.1900	0.000	1	124.6080	0.677	2	124.9343	0.658	3	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(C[5]C[5]N[5])(CHHN)(H)2	N[5](C[5]C[5]C)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|H<1>}	C(C[5]C[5]N[5])(CHHN)(H)2	N[5](C[5]C[5]C)(C[5]N[5]H){1|H<1>}	121.6725	0.442	2	121.6725	0.195	2	121.6725	0.195	2	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]N[5]H)(N[5]N[5])(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]N[5]Pd)(C[5]C[5]C)	C[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Pd<4>,1|C<4>}	C(C[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]N[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>}	122.7890	0.000	1	122.7890	0.000	1	119.4171	2.878	7	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]P[5]C)(N[5]N[5])(CCHH)	C(C[5]C[5]N[5])(CH3)(H)2	N[5](N[5]P[5]Si)(C[5]C[5]C)	C[5](C[5]P[5]C)(N[5]N[5])(CCHH){1|Cr<6>,1|Si<4>}	C(C[5]C[5]N[5])(CH3)(H)2	N[5](N[5]P[5]Si)(C[5]C[5]C){1|Cr<6>,1|C<4>}	118.8350	0.858	2	118.8552	0.800	6	119.4171	2.878	7	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]P[5]C)(N[5]N[5])(CCHH)	C(C[5]C[5]N[5])(CH3)(H)2	N[5](N[5]P[5]Si)(C[5]C[5]C)	C[5](C[5]P[5]C)(N[5]N[5])(CCHH){1|Mo<6>,1|Si<4>}	C(C[5]C[5]N[5])(CH3)(H)2	N[5](N[5]P[5]Si)(C[5]C[5]C){1|Mo<6>,1|C<4>}	119.0170	1.110	2	118.8552	0.800	6	119.4171	2.878	7	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]P[5]C)(N[5]N[5])(CCHH)	C(C[5]C[5]N[5])(CH3)(H)2	N[5](N[5]P[5]Si)(C[5]C[5]C)	C[5](C[5]P[5]C)(N[5]N[5])(CCHH){1|Si<4>,1|W<6>}	C(C[5]C[5]N[5])(CH3)(H)2	N[5](N[5]P[5]Si)(C[5]C[5]C){1|C<4>,1|W<6>}	118.7135	1.392	2	118.8552	0.800	6	119.4171	2.878	7	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(N[5]C[5])(CHHN)	C(C[5]C[5]N[5])(NCCH)(H)2	N[5](C[5]C[5]C)2	C[5](C[5]C[5]H)(N[5]C[5])(CHHN){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(NCCH)(H)2	N[5](C[5]C[5]C)2{2|H<1>}	121.6770	0.277	2	121.6770	0.077	2	121.6770	0.077	2	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(N[5]C[5])(CHHP)	C(C[5]C[5]N[5])(PC[6a]2Cu)(H)2	N[5](C[5]C[5]C)2	C[5](C[5]C[5]H)(N[5]C[5])(CHHP){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(PC[6a]2Cu)(H)2	N[5](C[5]C[5]C)2{2|H<1>}	121.2160	1.561	7	121.2160	2.437	7	121.2717	2.114	8	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(N[5]C[5])(CHHP)	C(C[5]C[5]N[5])(PC[6a]2N)(H)2	N[5](C[5]C[5]C)2	C[5](C[5]C[5]H)(N[5]C[5])(CHHP){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(PC[6a]2N)(H)2	N[5](C[5]C[5]C)2{2|H<1>}	121.6620	0.000	1	121.6620	0.000	1	121.2717	2.114	8	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:P[6]-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(N[5]C[5])(CP[6]HH)	C(C[5]C[5]N[5])(P[6]O[6]2O)(H)2	N[5](C[5]C[5]C)2	C[5](C[5]C[5]H)(N[5]C[5])(CP[6]HH){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(P[6]O[6]2O)(H)2	N[5](C[5]C[5]C)2{1|C<3>,1|H<1>}	122.1935	0.401	2	122.1935	0.161	2	122.1935	0.161	2	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5])(CCHH)	C(C[5]N[5]2)(CCHO)(H)2	N[5](C[5]C[5]C)(C[5]N[5]C)	C[5](N[5]C[5]C)(N[5]C[5])(CCHH){1|C<3>,1|O<1>}	C(C[5]N[5]2)(CCHO)(H)2	N[5](C[5]C[5]C)(C[5]N[5]C){1|C<4>,1|O<1>}	124.8577	0.085	3	124.8577	0.007	3	124.2189	1.235	7	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(N[5]C[5])(CCHH)	C(C[5]N[5]2)(CH3)(H)2	N[5](C[5]N[5]C)2	C[5](N[5]C[6a]N[5])(N[5]C[5])(CCHH){1|C<4>,3|C<3>}	C(C[5]N[5]2)(CH3)(H)2	N[5](C[5]N[5]C)2{2|C<3>}	125.4830	0.000	1	125.4830	0.000	1	124.2189	1.235	7	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]C)(N[5]C[5])(CCHH)	C(C[5]N[5]2)(CHHN)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](N[5]N[5]C)(N[5]C[5])(CCHH){2|C<3>}	C(C[5]N[5]2)(CHHN)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|C<4>,3|C<3>}	124.0390	0.000	1	124.0390	0.000	1	124.2189	1.235	7	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]Cu)(N[5]C[5])(CCHH)	C(C[5]N[5]2)(CCHH)(H)2	N[5](C[5]C[6]N[5])(C[5]N[5]C)	C[5](N[5]N[5]Cu)(N[5]C[5])(CCHH){1|Cu<5>,1|C<3>}	C(C[5]N[5]2)(CCHH)(H)2	N[5](C[5]C[6]N[5])(C[5]N[5]C){2|Cu<5>,1|C<3>,1|N<3>}	122.7185	0.197	2	122.7185	0.039	2	124.2189	1.235	7	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]Fe)(N[5]N[5])(CCHH)	C(C[5]N[5]2)(CCHH)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]Fe)(N[5]N[5])(CCHH){1|C<3>,1|H<1>}	C(C[5]N[5]2)(CCHH)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|Fe<6>,1|C<3>}	124.1320	0.000	1	124.1320	0.000	1	125.8422	1.283	19	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(N[5]N[5])(CCHH)	C(C[5]N[5]2)(CCHH)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]N)(N[5]N[5])(CCHH){1|H<1>,1|S<1>}	C(C[5]N[5]2)(CCHH)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<2>,1|S<1>}	126.2083	0.640	6	126.2083	0.410	6	125.8422	1.283	19	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(N[5]N[5])(CCHH)	C(C[5]N[5]2)(CH3)(H)2	N[5](C[5]N[5]C)(N[5]C[5]C)	C[5](N[5]C[5]N)(N[5]N[5])(CCHH){1|C<4>,1|S<1>}	C(C[5]N[5]2)(CH3)(H)2	N[5](C[5]N[5]C)(N[5]C[5]C){1|N<3>,1|S<1>}	125.8790	0.808	2	125.8790	0.652	2	125.8422	1.283	19	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(N[5]N[5])(CCHH)	C(C[5]N[5]2)(CH3)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]N)(N[5]N[5])(CCHH){1|H<1>,1|S<1>}	C(C[5]N[5]2)(CH3)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<2>,1|S<1>}	126.3325	0.447	6	126.3325	0.200	6	125.8422	1.283	19	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)	C(C[5]N[5]2)(CC[6a]HH)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH){1|H<1>,1|S<1>,2|C<3>}	C(C[5]N[5]2)(CC[6a]HH)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<3>,1|S<1>}	126.5050	0.006	2	126.5050	0.000	2	125.8422	1.283	19	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)	C(C[5]N[5]2)(CN[5a]HH)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH){1|H<1>,1|S<1>,2|C<3>}	C(C[5]N[5]2)(CN[5a]HH)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<3>,1|S<1>}	124.3450	0.000	1	124.3450	0.000	1	125.8422	1.283	19	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]N[5]C)(N[5]N[5])(CCHH)	C(C[5]N[5]2)(CCHH)(H)2	N[5](C[5]N[5]C)(N[5]N[5]O)	C[5](N[5]N[5]C)(N[5]N[5])(CCHH){1|O<1>}	C(C[5]N[5]2)(CCHH)(H)2	N[5](C[5]N[5]C)(N[5]N[5]O){1|C<4>}	122.5120	0.000	1	122.5120	0.000	1	125.8422	1.283	19	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)	C(C[5]N[5]2)(CH3)(H)2	N[5](N[5]C[5]Mn)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH){1|Mn<6>,3|C<3>}	C(C[5]N[5]2)(CH3)(H)2	N[5](N[5]C[5]Mn)(C[5]N[5]C){2|C<3>}	126.6890	0.000	1	126.6890	0.000	1	126.6890	0.000	1	123.4251	7.530	48	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	4:3:	C[5,6a]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)	C(C[5]C[5,6a]N[5])(CC[6a]CH)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5])(CC[6a]CH)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C){2|C<3>}	121.1220	0.000	1	121.1220	0.000	1	121.1220	0.000	1	124.8393	10.455	3	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	4:3:	N[5,5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(N[5]C[5])(CCHH)	C(C[5]N[5,5]N[5])(CH3)(H)2	N[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)	C[5](N[5,5]N[5,5]C[5])(N[5]C[5])(CCHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[5]N[5,5]N[5])(CH3)(H)2	N[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C){1|C<4>,3|C<3>}	126.3960	0.000	1	126.3960	0.000	1	126.3960	0.000	1	124.8393	10.455	3	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]N)(N[5]C[5])(CCHH)	C(C[5]N[5]2)(CH3)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]C)	C[5](N[5]C[5]N)(N[5]C[5])(CCHH){1|C<4>,1|H<1>,1|O<1>}	C(C[5]N[5]2)(CH3)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]C){1|N<2>,1|O<1>}	127.0000	0.000	1	127.0000	0.000	1	127.0000	0.000	1	124.8393	10.455	3	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:2:1:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-4:O-2:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(N[5]N[5])(CCHO)	C(C[5]N[5]2)(CCHO)(OH)(H)	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]N)(N[5]N[5])(CCHO){1|H<1>,1|S<1>}	C(C[5]N[5]2)(CCHO)(OH)(H)	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<3>,1|S<1>}	125.9000	0.000	1	125.9000	0.000	1	125.9000	0.000	1	125.9000	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:3:1:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5])(CCHN)(COO)(H)	N[5](C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]C[5])(CCCH){2|H<1>}	C(C[5]C[5]N[5])(CCHN)(COO)(H)	N[5](C[5]C[5]C)(C[5]C[5]H){2|H<1>}	123.7740	0.000	1	123.7740	0.000	1	123.7740	0.000	1	123.7740	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:1:	4:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]O)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5])(CCHH)(CH3)(H)	N[5](C[5]C[5]O[5]C)(C[5]C[5]C)	C[5](C[5]O[5]O)(N[5]C[5])(CCCH){2|C<4>}	C(C[5]C[5]N[5])(CCHH)(CH3)(H)	N[5](C[5]C[5]O[5]C)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	125.5990	0.000	1	125.5990	0.000	1	125.5990	0.000	1	125.5990	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:	C[5](C[5]C[5]C)(N[5]C[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	N[5](C[5]C[5]C)2	C[5](C[5]C[5]C)(N[5]C[5])(CC3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	N[5](C[5]C[5]C)2{2|C<4>}	120.5410	0.399	2	120.5410	0.159	2	120.2320	7.008	6	122.3548	3.758	32	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(N[5]C[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	N[5](C[5]C[5]C)2	C[5](C[5]C[5]H)(N[5]C[5])(CC3){1|C<4>,1|P<4>}	C(C[5]C[5]N[5])(CH3)3	N[5](C[5]C[5]C)2{1|H<1>,1|P<4>}	122.4960	0.000	1	122.4960	0.000	1	120.2320	7.008	6	122.3548	3.758	32	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(N[5]C[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	N[5](C[5]C[5]C[6])(C[5]C[5]C)	C[5](C[5]C[5]H)(N[5]C[5])(CC3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	N[5](C[5]C[5]C[6])(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.4930	0.000	1	123.4930	0.000	1	120.2320	7.008	6	122.3548	3.758	32	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:	C[5](C[5]C[5]P)(N[5]C[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	N[5](C[5]C[5]C)2	C[5](C[5]C[5]P)(N[5]C[5])(CC3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)3	N[5](C[5]C[5]C)2{1|H<1>,1|P<4>}	117.3350	0.000	1	117.3350	0.000	1	120.2320	7.008	6	122.3548	3.758	32	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:	C[5](C[5]S[5]H)(N[5]C[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	N[5](C[5]C[5]C)(C[5]S[5]N)	C[5](C[5]S[5]H)(N[5]C[5])(CC3){1|Pd<4>,1|N<2>}	C(C[5]C[5]N[5])(CH3)3	N[5](C[5]C[5]C)(C[5]S[5]N){1|Pd<4>,1|H<1>}	116.9860	0.000	1	116.9860	0.000	1	120.2320	7.008	6	122.3548	3.758	32	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:	C[5](C[5]N[5]H)(N[5]N[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	N[5](N[5]N[5]Re)(C[5]C[5]C)	C[5](C[5]N[5]H)(N[5]N[5])(CC3){1|Re<6>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	N[5](N[5]N[5]Re)(C[5]C[5]C){1|C<4>,1|H<1>}	121.2200	0.000	1	121.2200	0.000	1	121.1165	0.021	2	122.3548	3.758	32	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:	C[5](C[5]N[5]Si)(N[5]N[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	N[5](N[5]N[5]Sm)(C[5]C[5]C)	C[5](C[5]N[5]Si)(N[5]N[5])(CC3){1|Sm<13>}	C(C[5]C[5]N[5])(CH3)3	N[5](N[5]N[5]Sm)(C[5]C[5]C){1|Si<4>}	121.0130	0.000	1	121.0130	0.000	1	121.1165	0.021	2	122.3548	3.758	32	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC)	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)2	N[5](C[5]C[5]C)2	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)2	N[5](C[5]C[5]C)2{2|H<1>}	122.3725	0.989	2	122.3725	0.979	2	122.3725	0.979	2	122.3548	3.758	32	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(N[5]C[5])(CC3)	C(C[5]N[5]2)(CH3)3	N[5](C[5]N[5]C)2	C[5](N[5]N[5]B)(N[5]C[5])(CC3){1|Zn<4>,1|C<4>}	C(C[5]N[5]2)(CH3)3	N[5](C[5]N[5]C)2{1|Zn<4>,1|B<4>}	123.0850	0.000	1	123.0850	0.000	1	123.3313	1.142	20	122.3548	3.758	32	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:	C[5](N[5]N[5]C)(N[5]C[5])(CC3)	C(C[5]N[5]2)(CH3)3	N[5](C[5]C[6]N[5])(C[5]N[5]C)	C[5](N[5]N[5]C)(N[5]C[5])(CC3){1|Ir<6>,1|C<3>}	C(C[5]N[5]2)(CH3)3	N[5](C[5]C[6]N[5])(C[5]N[5]C){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>}	124.4010	0.000	1	124.4010	0.000	1	123.3313	1.142	20	122.3548	3.758	32	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:	C[5](N[5]N[5]H)(N[5]C[5])(CC3)	C(C[5]N[5]2)(CH3)3	N[5](C[5]C[6]N[5])(C[5]N[5]C)	C[5](N[5]N[5]H)(N[5]C[5])(CC3){1|Cu<4>,1|C<3>}	C(C[5]N[5]2)(CH3)3	N[5](C[5]C[6]N[5])(C[5]N[5]C){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	126.4610	0.000	1	126.4610	0.000	1	123.3313	1.142	20	122.3548	3.758	32	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:	C[5](N[5]N[5]Zn)(N[5]C[5])(CC3)	C(C[5]N[5]2)(CH3)3	N[5](C[5]N[5]C)2	C[5](N[5]N[5]Zn)(N[5]C[5])(CC3){1|B<4>,1|C<4>}	C(C[5]N[5]2)(CH3)3	N[5](C[5]N[5]C)2{1|Zn<4>,1|B<4>}	123.0988	0.782	17	123.0988	0.611	17	123.3313	1.142	20	122.3548	3.758	32	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	3:3:	N[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:	C[5](N[5]C[6a]P[5])(N[5]N[5])(CC3)	C(C[5]N[5]2)(CH3)3	N[5](N[5]C[6a]P[5])(C[5]N[5]C)	C[5](N[5]C[6a]P[5])(N[5]N[5])(CC3){1|Br<1>,3|C<3>}	C(C[5]N[5]2)(CH3)3	N[5](N[5]C[6a]P[5])(C[5]N[5]C){1|Br<1>,3|C<3>}	120.1795	0.349	2	120.1795	0.122	2	120.1795	0.122	2	122.3548	3.758	32	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	4:3:	C[5,5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,6]-4:C[5]-3:	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3)	C(C[5]C[5,5]N[5])(CH3)3	N[5](C[5,6]C[5,5,6]C[6]Br)(C[5]C[5,5]C)	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3){2|Br<1>,1|C<3>,1|N<2>,2|C<4>}	C(C[5]C[5,5]N[5])(CH3)3	N[5](C[5,6]C[5,5,6]C[6]Br)(C[5]C[5,5]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	122.2350	0.000	1	122.2350	0.000	1	122.2350	0.000	1	119.8789	5.370	8	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	4:3:	C[5,5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	Si[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(N[5]Si[5])(CC3)	C(C[5]C[5,5]N[5])(CH3)3	N[5](Si[5]C[5,5]CC)(C[5]C[5,5]C)	C[5](C[5,5]C[5,5]C[5])(N[5]Si[5])(CC3){1|Zr<14>,1|N<3>,2|C<4>,3|C<3>}	C(C[5]C[5,5]N[5])(CH3)3	N[5](Si[5]C[5,5]CC)(C[5]C[5,5]C){1|C<4>,2|C<3>}	116.1550	0.000	1	116.1550	0.000	1	116.1550	0.000	1	119.8789	5.370	8	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	4:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,5,6]-4:C[5]-3:	C[5](C[5]C[5,5]Br)(N[5]C[5,5,6])(CC3)	C(C[5]C[5]N[5])(CH3)3	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)	C[5](C[5]C[5,5]Br)(N[5]C[5,5,6])(CC3){1|C<3>,2|C<4>}	C(C[5]C[5]N[5])(CH3)3	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C){2|Br<1>,1|C<3>,1|N<2>,2|C<4>,2|H<1>}	121.3330	0.000	1	121.3330	0.000	1	121.3565	0.001	2	119.8789	5.370	8	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	4:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,5,6]-4:C[5]-3:	C[5](C[5]C[5,5]Cl)(N[5]C[5,5,6])(CC3)	C(C[5]C[5]N[5])(CH3)3	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)	C[5](C[5]C[5,5]Cl)(N[5]C[5,5,6])(CC3){1|C<3>,2|C<4>}	C(C[5]C[5]N[5])(CH3)3	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C){1|Cl<1>,1|N<2>,2|H<1>,3|C<4>}	121.3800	0.000	1	121.3800	0.000	1	121.3565	0.001	2	119.8789	5.370	8	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	4:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(N[5]C[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	N[5](C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]C[5])(CC3){1|O<2>,2|C<4>}	C(C[5]C[5]N[5])(CH3)3	N[5](C[5]C[5]CO)(C[5]C[5]C){2|C<4>}	121.2480	0.000	1	121.2480	0.000	1	121.2480	0.000	1	119.8789	5.370	8	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	4:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	Si[5]-4:C[5]-3:	C[5](C[5]C[5]C)(N[5]Si[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	N[5](Si[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]Si[5])(CC3){1|C<3>,2|C<4>}	C(C[5]C[5]N[5])(CH3)3	N[5](Si[5]C[5]CC)(C[5]C[5]C){1|C<2>,1|C<3>}	121.3090	0.000	1	118.8933	4.508	3	118.8933	4.508	3	119.8789	5.370	8	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	4:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	Si[5]-4:C[5]-3:	C[5](C[5]C[5]C)(N[5]Si[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	N[5](Si[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]Si[5])(CC3){1|C<3>,2|C<4>}	C(C[5]C[5]N[5])(CH3)3	N[5](Si[5]C[5]CC)(C[5]C[5]C){1|C<3>,1|C<4>}	118.0480	0.000	1	118.8933	4.508	3	118.8933	4.508	3	119.8789	5.370	8	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:2:4:	3:4:4:4:	4:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	Si[5]-4:C[5]-3:	C[5](C[5]C[5]C)(N[5]Si[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	N[5](Si[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]Si[5])(CC3){1|C<3>,2|C<4>}	C(C[5]C[5]N[5])(CH3)3	N[5](Si[5]C[5]CC)(C[5]C[5]C){2|C<3>}	117.3230	0.000	1	118.8933	4.508	3	118.8933	4.508	3	119.8789	5.370	8	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]N[5]Pd)(C[5]C[5]C)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<3>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]N[5]Pd)(C[5]C[5]C){1|C<3>,1|H<1>}	121.2820	0.687	2	121.3000	0.237	3	121.3053	0.442	7	124.0723	3.477	36	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]N[5]Pd)(C[5]C[5]C)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<4>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]N[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>}	121.3360	0.000	1	121.3000	0.237	3	121.3053	0.442	7	124.0723	3.477	36	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]N[5]Re)(C[5]C[5]C)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<3>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]N[5]Re)(C[5]C[5]C){1|C<3>,1|H<1>}	122.3180	0.000	1	121.8490	0.440	2	121.3053	0.442	7	124.0723	3.477	36	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]N[5]Re)(C[5]C[5]C)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<4>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]N[5]Re)(C[5]C[5]C){1|C<4>,1|H<1>}	121.3800	0.000	1	121.8490	0.440	2	121.3053	0.442	7	124.0723	3.477	36	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]N[5]Ru)(C[5]C[5]C)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<6>,1|C<3>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]N[5]Ru)(C[5]C[5]C){1|C<3>,1|H<1>}	120.7695	0.757	2	120.7695	0.574	2	121.3053	0.442	7	124.0723	3.477	36	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:N[5]-2:	N[5a]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]N[5]H)(CN[5a]HH)(N[5]N[5])	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	N[5](N[5]N[5]Re)(C[5]C[5]C)	C[5](C[5]N[5]H)(CN[5a]HH)(N[5]N[5]){1|Re<6>,1|C<4>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	N[5](N[5]N[5]Re)(C[5]C[5]C){1|C<4>,1|H<1>}	120.0850	0.000	1	120.0850	0.000	1	120.0850	0.000	1	124.0723	3.477	36	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	N[5]-3:C-4:N[5]-2:	C[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(CC[5a]HH)(N[5]N[5])	C(C[5a]C[5a]2)(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[6a]C[5])(CC[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	C(C[5a]C[5a]2)(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<3>,1|S<1>}	125.4260	0.000	1	125.4260	0.000	1	125.4260	0.000	1	124.0723	3.477	36	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	N[5]-3:C-4:N[5]-2:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5])	C(C[6a]C[6a,6a]C[6a])(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	C(C[6a]C[6a,6a]C[6a])(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<2>,1|S<1>}	125.4350	0.000	1	125.4350	0.000	1	125.4424	0.921	13	124.0723	3.477	36	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	N[5]-3:C-4:N[5]-2:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<2>,1|S<1>}	125.5452	0.706	4	125.5535	0.317	6	125.4424	0.921	13	124.0723	3.477	36	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	N[5]-3:C-4:N[5]-2:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]N)(CC[6a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<3>,1|S<1>}	125.5700	0.294	2	125.5535	0.317	6	125.4424	0.921	13	124.0723	3.477	36	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	N[5]-3:C-4:N[5]-2:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<3>,1|S<1>}	125.3325	1.365	6	125.3325	1.864	6	125.4424	0.921	13	124.0723	3.477	36	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	N[5]-3:C-4:N[5]-2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(CN[5a]HH)(N[5]N[5])	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]N)(CN[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<2>,1|S<1>}	125.8620	0.000	1	125.8620	0.000	1	124.3717	0.846	14	124.0723	3.477	36	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	N[5]-3:C-4:N[5]-2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(CN[5a]HH)(N[5]N[5])	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]N)(CN[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<2>,1|S<1>}	124.6181	0.321	8	124.7294	0.202	9	124.3717	0.846	14	124.0723	3.477	36	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	N[5]-3:C-4:N[5]-2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(CN[5a]HH)(N[5]N[5])	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]N)(CN[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>}	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<3>,1|S<1>}	125.6200	0.000	1	124.7294	0.202	9	124.3717	0.846	14	124.0723	3.477	36	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	N[5]-3:C-4:N[5]-2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(CN[5a]HH)(N[5]N[5])	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[6a]C[5])(CN[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<3>,1|S<1>}	123.3970	0.000	1	123.3970	0.000	1	124.3717	0.846	14	124.0723	3.477	36	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:1:1:	3:3:	N[5]-3:C-4:N[5]-2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(CN[5a]HH)(N[5]N[5])	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[6a]C[5])(CN[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<3>,1|S<1>}	123.1267	0.452	3	123.1267	0.204	3	124.3717	0.846	14	124.0723	3.477	36	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:3:1:	3:3:	C[5]-3:C-4:N[5]-2:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(CC[5a]C[6a]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5]C)2	C[5](C[5]C[6a]C[5])(CC[5a]C[6a]H)(N[5]C[5]){4|C<3>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5]C)2{2|C<3>}	122.9090	0.710	2	122.9090	0.504	2	122.9090	0.504	2	122.9090	0.504	2	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:3:4:	3:3:	C[5]-3:C-4:N[5]-2:	C[5a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(CC[5a]2C)(N[5]C[5])	C(C[5a]C[5a]N[5a])2(C[5]C[5]N[5])(CH3)	N[5](C[5]C[5]C)2	C[5](C[5]C[5]H)(CC[5a]2C)(N[5]C[5]){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[5]C[5]N[5])(CH3)	N[5](C[5]C[5]C)2{2|H<1>}	122.9290	0.085	2	122.9290	0.007	2	122.9290	0.007	2	122.9290	0.007	2	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:4:1:	3:3:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[6a]-3:C-4:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(CC[6a]CH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	N[5](N[5]N[5]Rh)(C[5]C[5]C)	C[5](C[5]C[6a]N[5])(CC[6a]CH)(N[5]N[5]){2|Rh<6>,2|C<3>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	N[5](N[5]N[5]Rh)(C[5]C[5]C){1|Rh<6>,1|C<3>}	122.3182	1.047	4	122.3182	1.097	4	122.3182	1.097	4	125.0201	3.216	15	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:4:1:	3:3:	N[5]-3:C-4:N[5]-2:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]H)(CC[6a]CH)(N[5]N[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]H)(CC[6a]CH)(N[5]N[5]){1|H<1>,1|S<1>}	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	N[5](C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|S<1>}	126.3620	0.000	1	126.3620	0.000	1	126.0026	0.191	11	125.0201	3.216	15	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:4:1:	3:3:	N[5]-3:C-4:N[5]-2:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(CC[6a]CH)(N[5]N[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	N[5](C[5]N[5]C)(N[5]C[5]C)	C[5](N[5]C[5]N)(CC[6a]CH)(N[5]N[5]){1|C<4>,1|S<1>}	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	N[5](C[5]N[5]C)(N[5]C[5]C){1|N<2>,1|S<1>}	126.0078	0.338	6	126.0078	0.114	6	126.0026	0.191	11	125.0201	3.216	15	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:4:1:	3:3:	N[5]-3:C-4:N[5]-2:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]N)(CC[6a]CH)(N[5]N[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[5]N)(CC[6a]CH)(N[5]N[5]){1|H<1>,1|S<1>}	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<2>,1|S<1>}	126.2103	0.160	3	126.2103	0.026	3	126.0026	0.191	11	125.0201	3.216	15	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:4:1:	3:3:	N[5]-3:C-4:N[5]-2:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(CC[6a]CH)(N[5]N[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	N[5](C[5]N[5]C)(N[5]C[5]H)	C[5](N[5]C[6a]C[5])(CC[6a]CH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<3>,1|S<1>}	124.9890	0.000	1	124.9890	0.000	1	126.0026	0.191	11	125.0201	3.216	15	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:4:1:	4:3:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(CC[6a]CH)(N[5]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)	C[5](C[5]C[5]C)(CC[6a]CH)(N[5]C[5]){2|C<3>,2|H<1>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C){1|H<1>,4|C<3>}	119.2190	0.000	1	119.2190	0.000	1	119.2190	0.000	1	119.2190	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:4:4:	3:3:	C[5]-3:C-4:N[5]-2:	C[5a]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)(CH3)	N[5](C[5]C[5]C)2	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5]){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)(CH3)	N[5](C[5]C[5]C)2{2|H<1>}	121.2695	0.607	2	121.2695	0.369	2	122.5138	4.682	11	122.5138	4.682	11	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:4:4:	3:3:	C[5]-3:C-4:N[5]-2:	C[5a]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	N[5](C[5]C[5]C)2	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5]){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	N[5](C[5]C[5]C)2{2|H<1>}	123.7267	4.267	3	122.9969	5.657	8	122.5138	4.682	11	122.5138	4.682	11	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:4:4:	3:3:	C[5]-3:C-4:N[5]-2:	C[5a]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	N[5](C[5]C[5]C)2	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5]){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	N[5](C[5]C[5]C)2{2|H<1>}	122.5590	0.398	5	122.9969	5.657	8	122.5138	4.682	11	122.5138	4.682	11	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	3:4:2:	3:3:4:4:	3:3:	C[5]-3:C-4:N[5]-2:	C[5a]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5]){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	121.1380	0.000	1	121.1380	0.000	1	122.5138	4.682	11	122.5138	4.682	11	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:2:	3:3:1:1:	3:2:	C-4:N[5]-2:N[5]-2:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-2:	C[5](CC[6a]HH)(N[5]N[5])2	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]N[5])	C[5](CC[6a]HH)(N[5]N[5])2	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]N[5])	124.3285	0.728	2	124.3285	0.529	2	124.3285	0.529	2	123.9747	0.388	26	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:2:	3:3:1:1:	3:2:	C-4:N[5]-2:N[5]-2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-2:	C[5](CN[5a]HH)(N[5]N[5])2	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]N[5])	C[5](CN[5a]HH)(N[5]N[5])2	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]N[5])	123.9840	0.807	8	123.9840	0.652	8	123.9453	0.387	24	123.9747	0.388	26	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:2:	3:3:1:1:	3:2:	C-4:N[5]-2:N[5]-2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-2:	C[5](CN[5a]HH)(N[5]N[5])2	C(N[5a]N[5a]2)(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]N[5])	C[5](CN[5a]HH)(N[5]N[5])2	C(N[5a]N[5a]2)(C[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]N[5])	123.9259	0.537	16	123.9259	0.288	16	123.9453	0.387	24	123.9747	0.388	26	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:2:	3:3:1:1:	3:3:	C-4:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]O[5]C)(N[5]C[5]C)	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5]){1|C<4>,1|S<1>}	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]O[5]C)(N[5]C[5]C){1|S<1>}	128.9900	0.000	1	128.9900	0.000	1	128.4641	0.170	8	127.7185	4.317	11	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:2:	3:3:1:1:	3:3:	C-4:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]O[5]C)(N[5]C[5]H)	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5]){1|H<1>,1|S<1>}	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]O[5]C)(N[5]C[5]H){1|S<1>}	128.3890	0.382	7	128.3890	0.146	7	128.4641	0.170	8	127.7185	4.317	11	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:2:	3:3:1:1:	3:3:	C-4:N[5]-2:O[5]-2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](CN[5a]HH)(N[5]N[5])(O[5]C[5])	C(N[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	N[5](C[5]O[5]C)(N[5]C[5]H)	C[5](CN[5a]HH)(N[5]N[5])(O[5]C[5]){1|H<1>,1|S<1>}	C(N[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	N[5](C[5]O[5]C)(N[5]C[5]H){1|S<1>}	127.7895	0.480	2	127.7895	0.231	2	127.7895	0.231	2	127.7185	4.317	11	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:2:	3:3:1:1:	3:3:	C-4:N[5]-2:S[5]-2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](CN[5a]HH)(N[5]N[5])(S[5]C[5])	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(H)2	N[5](C[5]S[5]C)(N[5]C[5]H)	C[5](CN[5a]HH)(N[5]N[5])(S[5]C[5]){1|H<1>,1|S<1>}	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(H)2	N[5](C[5]S[5]C)(N[5]C[5]H){1|S<1>}	121.6120	0.000	1	121.6120	0.000	1	121.6120	0.000	1	127.7185	4.317	11	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:2:	3:3:4:1:	4:3:	C-4:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](CC[6a]CH)(N[5]C[5])(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5]C[5]CC)(C[5]O[5]C)	C[5](CC[6a]CH)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<4>}	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5]C[5]CC)(C[5]O[5]C){1|O<1>}	129.2180	0.000	1	129.2180	0.000	1	129.2180	0.000	1	129.2180	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:2:	3:3:4:4:	4:3:	C-4:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](CC[6a]CC)(N[5]C[5])(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]N[6a]2)(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]C)	C[5](CC[6a]CC)(N[5]C[5])(O[5]C[5]){1|C<4>,3|H<1>}	C(C[5]N[5]O[5])(C[6a]N[6a]2)(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]C){2|H<1>}	127.7755	0.026	2	127.7755	0.001	2	127.7755	0.001	2	127.7755	0.001	2	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:2:	C[5,5,6]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CH3)	C(C[5]C[5,5,6]N[5])(H)3	N[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5,5,6]N[5])(H)3	N[5](C[5]C[5,5,6]C)(O[5]C[5,5,6]){2|C<4>,2|H<1>}	121.3660	0.000	1	121.2845	0.013	2	121.2845	0.013	2	121.5679	0.632	9	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:2:	C[5,5,6]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CH3)	C(C[5]C[5,5,6]N[5])(H)3	N[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CH3){1|N<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5,6]N[5])(H)3	N[5](C[5]C[5,5,6]C)(O[5]C[5,5,6]){2|C<4>,2|H<1>}	121.2030	0.000	1	121.2845	0.013	2	121.2845	0.013	2	121.5679	0.632	9	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:2:	C[5,6]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:	C[5](C[5,6]C[5,6]C[6]C)(N[5]O[5])(CH3)	C(C[5]C[5,6]N[5])(H)3	N[5](C[5]C[5,6]C)(O[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(N[5]O[5])(CH3){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[5]C[5,6]N[5])(H)3	N[5](C[5]C[5,6]C)(O[5]C[5,6]){1|O<2>,3|C<4>}	120.9640	0.000	1	120.9640	0.000	1	120.9543	0.559	3	121.5679	0.632	9	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:2:	C[5,6]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5])(CH3)	C(C[5]C[5,6]N[5])(H)3	N[5](C[5]C[5,6]C)(O[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5])(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5,6]N[5])(H)3	N[5](C[5]C[5,6]C)(O[5]C[5,6]){1|C<3>,1|C<4>,2|H<1>}	121.6970	0.000	1	121.6970	0.000	1	120.9543	0.559	3	121.5679	0.632	9	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:2:	C[5,6]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:	C[5](C[5,6]C[5]C[6]2)(N[5]O[5])(CH3)	C(C[5]C[5,6]N[5])(H)3	N[5](C[5]C[5,6]C)(O[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]O[5])(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[5,6]N[5])(H)3	N[5](C[5]C[5,6]C)(O[5]C[5]){1|O<1>,2|C<4>}	120.2020	0.000	1	120.2020	0.000	1	120.9543	0.559	3	121.5679	0.632	9	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:2:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]){1|C<3>,2|C<4>}	122.5275	0.706	2	122.5275	0.499	2	122.5275	0.499	2	121.5679	0.632	9	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:2:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:	C[5](C[5]C[5]CH)(N[5]O[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5]CH)(N[5]O[5])(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	121.8120	0.414	2	121.8120	0.172	2	121.8120	0.172	2	121.5679	0.632	9	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[3,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5])(CH3)	C(C[5]C[3,5]N[5])(H)3	N[5](C[5]C[3,5]C)(N[5]C[5]C)	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[3,5]N[5])(H)3	N[5](C[5]C[3,5]C)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>}	122.3060	0.000	1	122.3060	0.000	1	122.3060	0.000	1	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[3,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5])(CH3)	C(C[5]C[3,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C)	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5])(CH3){1|O<1>,2|C<3>}	C(C[5]C[3,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C){1|N<2>,1|O<1>,3|C<3>}	123.0600	0.000	1	123.0600	0.000	1	123.1860	3.649	4	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[3,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[3,5]C[3]C[5]O[3])(N[5]N[5])(CH3)	C(C[5]C[3,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C)	C[5](C[3,5]C[3]C[5]O[3])(N[5]N[5])(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[3,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[3,5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	123.2280	2.337	3	123.2280	5.463	3	123.1860	3.649	4	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5,5]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C){1|C<4>,1|H<1>,3|C<3>}	122.8900	0.000	1	121.9046	0.332	5	121.9046	0.332	5	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3){2|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,5]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C){1|H<1>,2|C<3>,2|C<4>}	121.6582	0.194	4	121.9046	0.332	5	121.9046	0.332	5	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](C[5]C[5,5]C)(N[5]C[5]H)	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,5]N[5])(H)3	N[5](C[5]C[5,5]C)(N[5]C[5]H){1|C<3>,1|O<1>,1|O<2>}	123.4480	0.000	1	123.4480	0.000	1	121.8617	1.892	3	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](C[5]C[5,5]C)(N[5]C[5]S)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C(C[5]C[5,5]N[5])(H)3	N[5](C[5]C[5,5]C)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<1>}	121.0685	0.091	2	121.0685	0.008	2	121.8617	1.892	3	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]N[5,6])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]N[5,6])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,5]N[5])(H)3	N[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	123.2770	0.000	1	123.2770	0.000	1	123.2770	0.000	1	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5]2)(N[5]N[5])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	C[5](C[5,5]C[5,5]C[5]2)(N[5]N[5])(CH3){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|O<1>,2|C<3>,2|C<4>}	119.4520	0.000	1	119.4520	0.000	1	121.1641	1.166	25	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5]O[5])(N[5]N[5])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	C[5](C[5,5]C[5,5]C[5]O[5])(N[5]N[5])(CH3){1|O<1>,5|C<3>}	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	121.4020	0.000	1	121.4020	0.000	1	121.1641	1.166	25	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,5]C[5,6]C[5]2)(N[5]N[5])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	C[5](C[5,5]C[5,6]C[5]2)(N[5]N[5])(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|O<1>,2|C<3>,2|C<4>}	121.2498	0.099	4	121.2498	0.010	4	121.1641	1.166	25	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	122.1570	0.386	3	122.1570	0.149	3	121.1641	1.166	25	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|C<2>}	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|C<4>,1|O<1>,3|C<3>}	120.8650	0.000	1	120.8095	0.553	15	121.1641	1.166	25	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|C<4>,1|O<1>,3|C<3>}	121.0990	0.000	2	120.8095	0.553	15	121.1641	1.166	25	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|C<4>,1|O<1>,3|C<3>}	120.0045	0.650	2	120.8095	0.553	15	121.1641	1.166	25	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|C<4>,1|O<1>,3|C<3>}	120.4835	0.005	2	120.8095	0.553	15	121.1641	1.166	25	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|O<1>,2|C<3>,2|C<4>}	120.1290	0.000	1	120.8095	0.553	15	121.1641	1.166	25	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|O<1>,2|C<3>,2|C<4>}	120.9373	0.776	4	120.8095	0.553	15	121.1641	1.166	25	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|O<1>,2|C<3>,2|C<4>}	120.8470	0.580	2	120.8095	0.553	15	121.1641	1.166	25	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,5|C<3>}	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|O<1>,4|C<3>}	122.5310	0.000	1	120.8095	0.553	15	121.1641	1.166	25	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,5]C[5]N[5]O[5])(N[5]N[5])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	C[5](C[5,5]C[5]N[5]O[5])(N[5]N[5])(CH3){1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5,5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	124.6370	0.000	1	124.6370	0.000	1	121.1641	1.166	25	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,6]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a])(CH3)	C(C[5]C[5,6]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a])(CH3){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C(C[5]C[5,6]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C){1|H<1>,2|C<3>,2|C<4>}	121.5050	0.000	1	121.5050	0.000	1	121.5050	0.000	1	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,6]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5])(CH3)	C(C[5]C[5,6]N[5])(H)3	N[5](C[5]C[5,6]C)(N[5]C[5]C)	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5])(CH3){1|C<4>,1|O<1>,4|C<3>}	C(C[5]C[5,6]N[5])(H)3	N[5](C[5]C[5,6]C)(N[5]C[5]C){1|O<1>,2|C<3>}	122.7630	0.266	2	122.7630	0.071	2	122.7630	0.071	2	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,6]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,2|C<3>,2|C<4>}	121.2800	0.000	1	120.9248	1.312	20	121.0184	1.430	21	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,6]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|C<4>,1|O<1>,3|C<3>}	122.1600	0.000	1	120.9248	1.312	20	121.0184	1.430	21	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,6]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,2|C<3>,2|C<4>}	120.6600	0.000	1	120.9248	1.312	20	121.0184	1.430	21	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,6]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,2|C<3>,2|C<4>}	120.3974	0.468	7	120.9248	1.312	20	121.0184	1.430	21	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,6]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,2|C<3>,2|C<4>}	118.6440	0.000	1	120.9248	1.312	20	121.0184	1.430	21	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,6]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|C<4>,1|O<1>,3|C<3>}	121.3485	0.494	2	120.9248	1.312	20	121.0184	1.430	21	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,6]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,4|C<3>}	122.6130	0.387	2	120.9248	1.312	20	121.0184	1.430	21	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,6]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,2|C<3>,2|C<4>}	121.4990	0.000	1	120.9248	1.312	20	121.0184	1.430	21	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,6]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,2|C<3>,2|C<4>}	121.6987	0.144	3	120.9248	1.312	20	121.0184	1.430	21	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,6]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,2|C<3>,2|C<4>}	118.4520	0.000	1	120.9248	1.312	20	121.0184	1.430	21	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5,6]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]N[5])(CH3)	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]N[5])(CH3){1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,6]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C){1|O<1>,4|C<3>}	122.8910	0.000	1	122.8910	0.000	1	121.0184	1.430	21	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:N[5]-3:	C[5](C[5]C[5]HH)(N[5]N[5])(CF3)	C(C[5]C[5]N[5])(F)3	N[5](C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5]HH)(N[5]N[5])(CF3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(F)3	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<4>,3|H<1>}	119.2310	0.000	1	119.2310	0.000	1	119.7295	0.497	2	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:N[5]-3:	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CF3)	C(C[5]C[5]N[5])(F)3	N[5](C[5]C[5]C)(N[5]C[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CF3){2|H<1>,3|C<3>}	C(C[5]C[5]N[5])(F)3	N[5](C[5]C[5]C)(N[5]C[5]H){2|C<3>,2|H<1>}	120.2280	0.000	1	120.2280	0.000	1	119.7295	0.497	2	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:F-1:F-1:F-1:	N[5,5]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5,5])(CF3)	C(C[5]C[5]N[5])(F)3	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5,5])(CF3){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5]N[5])(F)3	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]C){2|C<3>,2|C<4>,3|H<1>}	120.2850	0.000	1	120.2850	0.000	1	120.2850	0.000	1	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3){2|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|Br<1>,2|C<3>,2|C<4>}	122.0950	0.000	1	122.5002	0.088	5	122.3843	0.151	6	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3){2|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,2|C<3>,2|C<4>}	122.6015	0.221	4	122.5002	0.088	5	122.3843	0.151	6	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](C[5]C[5x3,5x5,20x6]C[5,6a]C)(N[5]C[5,6a])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5](C[5]C[5x3,5x5,20x6]C[5,6a]C)(N[5]C[5,6a])(CH3){1|C<6>,2|C<3>,4|B<6>}	C(C[5]C[5]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|C<4>,1|C<6>,1|H<1>,2|C<3>}	121.8050	0.000	1	121.8050	0.000	1	122.3843	0.151	6	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]CC)(N[5]C[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)2	C[5](C[5]C[5]CC)(N[5]C[5])(CH3){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)2{2|C<4>,2|H<1>}	122.6570	0.000	1	122.6570	0.000	1	122.6570	0.000	1	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>}	123.3380	0.000	2	123.3380	0.000	2	122.0806	0.728	22	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>}	123.0195	0.118	2	123.0195	0.014	2	122.0806	0.728	22	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>}	122.6570	0.000	1	122.6570	0.000	1	122.0806	0.728	22	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|N<3>,2|H<1>}	120.5440	0.000	1	121.6167	0.286	15	122.0806	0.728	22	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<2>,2|H<1>}	121.5598	0.493	4	121.6167	0.286	15	122.0806	0.728	22	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|C<3>,2|C<4>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C){2|C<4>,2|H<1>}	121.6590	0.000	1	121.6167	0.286	15	122.0806	0.728	22	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|H<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,3|H<1>}	121.6470	0.563	4	121.6167	0.286	15	122.0806	0.728	22	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|O<2>,2|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|O<2>,2|H<1>}	121.8440	0.472	5	121.6167	0.286	15	122.0806	0.728	22	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]S)	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|S<4>,2|C<4>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]S){2|C<4>,2|H<1>}	122.4380	0.000	1	122.4380	0.000	1	122.0806	0.728	22	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5]C[5]HN)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5]HN)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	123.7130	0.000	1	123.7130	0.000	1	122.0806	0.728	22	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:	C[5](C[5]C[5,6]CH)(N[5]N[5,6])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)	C[5](C[5]C[5,6]CH)(N[5]N[5,6])(CH3){1|H<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	121.3100	0.000	1	121.3100	0.000	1	121.6463	0.642	3	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:	C[5](C[5]C[5,6]HH)(N[5]N[5,6])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)	C[5](C[5]C[5,6]HH)(N[5]N[5,6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C){1|O<2>,2|C<3>,4|H<1>}	122.5610	0.000	1	121.8145	1.115	2	121.6463	0.642	3	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:	C[5](C[5]C[5,6]HH)(N[5]N[5,6])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)	C[5](C[5]C[5,6]HH)(N[5]N[5,6])(CH3){1|H<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	121.0680	0.000	1	121.8145	1.115	2	121.6463	0.642	3	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]2C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]2C)(N[5]N[5])(CH3){1|C<4>,1|O<1>,3|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>}	120.8140	0.000	1	120.8140	0.000	1	121.5803	1.380	46	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]2N)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]2N)(N[5]N[5])(CH3){1|F<1>,1|O<1>,3|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	122.6750	0.000	1	122.6750	0.000	1	121.5803	1.380	46	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[5]Pd)(C[5]C[5]C)	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|Pd<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[5]Pd)(C[5]C[5]C){3|C<4>}	121.9197	0.991	4	121.9197	0.981	4	121.5803	1.380	46	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>}	120.8545	1.208	19	120.8545	1.458	19	121.5803	1.380	46	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<2>,1|N<3>,1|O<1>,2|C<3>}	123.2870	0.000	1	122.2745	0.384	6	121.5803	1.380	46	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	122.0070	0.463	3	122.2745	0.384	6	121.5803	1.380	46	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|N<3>,1|O<1>,3|C<3>}	122.1695	0.479	2	122.2745	0.384	6	121.5803	1.380	46	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<2>,1|O<1>,1|O<2>,2|C<3>}	124.3380	0.000	1	122.5842	1.731	4	121.5803	1.380	46	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	121.9997	0.739	3	122.5842	1.731	4	121.5803	1.380	46	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]CS)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]CS)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|O<1>,1|S<2>,2|C<3>}	120.9350	0.000	1	120.9350	0.000	1	121.5803	1.380	46	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|C<3>,2|C<4>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){2|C<4>,2|H<1>,2|N<2>}	122.1520	0.170	2	121.9505	0.090	6	121.5803	1.380	46	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|H<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){3|C<3>,3|H<1>}	121.8498	0.317	4	121.9505	0.090	6	121.5803	1.380	46	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3){1|N<2>,1|O<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|O<1>,3|C<3>}	120.7060	0.000	1	121.3405	0.805	2	121.5803	1.380	46	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3){1|O<1>,3|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|O<1>,3|C<3>}	121.9750	0.000	1	121.3405	0.805	2	121.5803	1.380	46	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5]N)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5a]C[5]N)(N[5]N[5])(CH3){1|O<1>,3|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|N<3>,1|O<1>,3|C<3>}	122.9940	0.086	2	122.9940	0.007	2	121.5803	1.380	46	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:3:	P[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-3:	C[5](P[5]P[5]CC)(N[5]P[5])(CH3)	C(C[5]N[5]P[5])(H)3	N[5](C[5]P[5]C)(P[5]P[5]C)	C[5](P[5]P[5]CC)(N[5]P[5])(CH3){2|C<4>}	C(C[5]N[5]P[5])(H)3	N[5](C[5]P[5]C)(P[5]P[5]C){3|C<4>}	121.9040	0.000	1	121.9040	0.000	1	121.9040	0.000	1	121.6067	1.389	145	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	3:4:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](C[5]C[5,5]C)(C[5]C[5]CO)	C[5](C[5,5]C[5]3)(N[5]C[5])(CH3){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,5]N[5])(H)3	N[5](C[5]C[5,5]C)(C[5]C[5]CO){1|C<3>,1|C<4>,2|H<1>}	122.7850	0.000	1	122.7850	0.000	1	122.7850	0.000	1	122.7850	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	4:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CH3)	C(C[5]C[5,5]N[5])(H)3	N[5](C[5]C[5,5]CH)(C[5]C[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,5]N[5])(H)3	N[5](C[5]C[5,5]CH)(C[5]C[5,5]C){2|H<1>,2|O<2>}	124.2030	0.000	1	124.2030	0.000	1	124.2030	0.000	1	123.2060	1.372	6	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	4:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(CH3){1|H<1>,1|N<3>,2|C<4>}	C(C[5]C[5]N[5])(H)3	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C){1|C<3>,1|N<3>,5|H<1>}	122.8170	0.000	1	122.8170	0.000	1	122.8170	0.000	1	123.2060	1.372	6	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	4:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](C[5]C[5]HH)(N[5]C[5,6])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)	C[5](C[5]C[5]HH)(N[5]C[5,6])(CH3){2|C<3>,2|H<1>}	C(C[5]C[5]N[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]C){2|O<1>,2|O<2>,4|H<1>}	121.9835	0.144	2	121.9835	0.021	2	121.9835	0.021	2	123.2060	1.372	6	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	4:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]ReC)(C[5]C[5]C)	C[5](C[5]C[5]HH)(N[5]C[5])(CH3){1|Re<7>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]ReC)(C[5]C[5]C){3|H<1>}	123.4110	0.000	1	123.4110	0.000	1	123.4110	0.000	1	123.2060	1.372	6	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:1:1:1:	4:3:	P[5]-4:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	B[5]-4:C[5]-3:	C[5](P[5]C[5]CC)(N[5]B[5])(CH3)	C(C[5]N[5]P[5])(H)3	N[5](B[5]C[6a]2C[5])(C[5]P[5]C)	C[5](P[5]C[5]CC)(N[5]B[5])(CH3){2|C<3>,2|H<1>}	C(C[5]N[5]P[5])(H)3	N[5](B[5]C[6a]2C[5])(C[5]P[5]C){2|C<4>,2|H<1>,4|C<3>}	124.8380	0.000	1	124.8380	0.000	1	124.8380	0.000	1	123.2060	1.372	6	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:3:1:1:	3:2:	C[5,6]-4:N[5]-2:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:O[5]-2:	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5])(CCHH)	C(C[5]C[5,6]N[5])(CCH)(H)2	N[5](C[5]C[5,6]C)(O[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5])(CCHH){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]N[5])(CCH)(H)2	N[5](C[5]C[5,6]C)(O[5]C[5,6]){1|C<3>,1|C<4>,2|H<1>}	120.2570	0.000	1	120.2570	0.000	1	120.2570	0.000	1	120.2570	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:4:1:1:	3:2:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:O[5]-2:	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5])(CCHH)	C(C[5]C[5,5]N[5])(CH3)(H)2	N[5](C[5]C[5,5]C)(O[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5])(CCHH){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5,5]N[5])(CH3)(H)2	N[5](C[5]C[5,5]C)(O[5]C[5,5]){1|C<3>,1|C<4>,2|H<1>}	123.7280	0.000	1	123.7280	0.000	1	123.7280	0.000	1	123.7280	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:4:1:1:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CCHH)	C(C[5]C[5,5]N[5])(CH3)(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CCHH){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,5]N[5])(CH3)(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	121.7750	0.000	1	121.7750	0.000	1	121.7750	0.000	1	122.7337	0.763	3	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:4:1:1:	3:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]2O)(N[5]N[5])(CCHH)	C(C[5]C[5]N[5])(CCCH)(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]2O)(N[5]N[5])(CCHH){1|O<1>,1|O<2>,3|C<3>}	C(C[5]C[5]N[5])(CCCH)(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	123.2130	0.383	2	123.2130	0.147	2	123.2130	0.147	2	122.7337	0.763	3	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:4:1:1:	4:3:	C[5]-4:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5](C[5]C[5]CH)(N[5]C[5,5])(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)	C[5](C[5]C[5]CH)(N[5]C[5,5])(CCHH){1|H<1>,3|C<3>}	C(C[5]C[5]N[5])(CCHH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	121.2930	0.000	1	121.2930	0.000	1	121.2930	0.000	1	121.2930	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:4:2:1:	3:2:	C[5,5,6]-4:N[5]-2:C-4:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-3:O[5]-2:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CC[5]HO)	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	N[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CC[5]HO){1|N<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	N[5](C[5]C[5,5,6]C)(O[5]C[5,5,6]){2|C<4>,2|H<1>}	122.1510	0.000	1	122.1510	0.000	1	122.1510	0.000	1	122.1510	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:4:4:3:	3:3:	C[5,5,6]-4:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-3:	C[5,6a]-3:C[5]-3:	C[5](C[5,5,6]C[5,6,6a]C[5,6,6]N[5])(N[5]C[5,6a])(CC3)	C(C[5]C[5,5,6]N[5])(CH3)2(CCH)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,5,6]C)	C[5](C[5,5,6]C[5,6,6a]C[5,6,6]N[5])(N[5]C[5,6a])(CC3){2|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,5,6]N[5])(CH3)2(CCH)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,5,6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.5300	0.000	1	120.5300	0.000	1	120.5300	0.000	1	120.5300	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:4:4:4:	3:2:	C[3x5]-4:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:O[5]-2:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(N[5]O[5])(CC3)	C(C[5]C[3x5]N[5])(CH3)3	N[5](C[5]C[3x5]C)(O[5]C[3x5])	C[5](C[3x5]C[5,6a]C[3x5]C[5])(N[5]O[5])(CC3){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[3x5]N[5])(CH3)3	N[5](C[5]C[3x5]C)(O[5]C[3x5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	119.3540	0.000	2	119.3540	0.000	2	119.3540	0.000	2	119.3540	0.000	2	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:4:4:4:	3:3:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CC3)	C(C[5]C[5,5]N[5])(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CC3){1|N<3>,3|C<3>,4|H<1>}	C(C[5]C[5,5]N[5])(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C){1|H<1>,2|C<3>,2|C<4>}	119.3180	0.000	1	119.3180	0.000	1	119.3180	0.000	1	121.4208	1.725	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:4:4:4:	3:3:	P[5]-4:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,6]-3:C[5]-3:	C[5](P[5]C[5,6]PdC)(N[5]C[5,6])(CC3)	C(C[5]N[5]P[5])(CH3)3	N[5](C[5,6]C[5,6]C[6])(C[5]P[5]C)	C[5](P[5]C[5,6]PdC)(N[5]C[5,6])(CC3){1|C<3>,1|N<3>}	C(C[5]N[5]P[5])(CH3)3	N[5](C[5,6]C[5,6]C[6])(C[5]P[5]C){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.1945	1.054	2	122.0570	0.612	3	122.0570	0.612	3	121.4208	1.725	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:4:4:4:	3:3:	P[5]-4:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,6]-3:C[5]-3:	C[5](P[5]C[5,6]PdC)(N[5]C[5,6])(CC3)	C(C[5]N[5]P[5])(CH3)3	N[5](C[5,6]C[5,6]C[6])(C[5]P[5]C)	C[5](P[5]C[5,6]PdC)(N[5]C[5,6])(CC3){1|C<3>,1|N<3>}	C(C[5]N[5]P[5])(CH3)3	N[5](C[5,6]C[5,6]C[6])(C[5]P[5]C){1|Pd<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.7820	0.000	1	122.0570	0.612	3	122.0570	0.612	3	121.4208	1.725	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:4:4:4:	3:3:	P[5]-4:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:	C[5](P[5]C[5,6a]C[6a]Rh)(N[5]C[5,6a])(CC3)	C(C[5]N[5]P[5])(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)	C[5](P[5]C[5,6a]C[6a]Rh)(N[5]C[5,6a])(CC3){1|N<2>,3|C<3>}	C(C[5]N[5]P[5])(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C){1|Rh<6>,1|H<1>,1|N<2>,2|C<3>}	121.6150	0.000	1	121.6150	0.000	1	121.6150	0.000	1	121.4208	1.725	5	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	3:4:4:4:	4:3:	P[5]-4:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	B[5]-4:C[5]-3:	C[5](P[5]C[5]CC)(N[5]B[5])(CC3)	C(C[5]N[5]P[5])(CH3)3	N[5](B[5]C[6a]2C[5])(C[5]P[5]C)	C[5](P[5]C[5]CC)(N[5]B[5])(CC3){2|C<3>,2|H<1>}	C(C[5]N[5]P[5])(CH3)3	N[5](B[5]C[6a]2C[5])(C[5]P[5]C){2|C<4>,2|H<1>,4|C<3>}	119.9480	0.000	1	119.9480	0.000	1	119.9480	0.000	1	119.9480	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:2:4:	4:3:1:1:	3:2:	C[5]-4:N[5]-2:C-4:	C[6]-4:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:	C[5](C[5]C[5]HH)(N[5]O[5])(CC[6]HH)	C(C[6]C[6,6]C[6]H)(C[5]C[5]N[5])(H)2	N[5](C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5]HH)(N[5]O[5])(CC[6]HH){1|C<3>,1|H<1>}	C(C[6]C[6,6]C[6]H)(C[5]C[5]N[5])(H)2	N[5](C[5]C[5]C)(O[5]C[5]){1|C<3>,3|H<1>}	120.5740	0.000	1	120.5740	0.000	1	120.5740	0.000	1	120.5740	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:3:2:	3:3:3:3:	3:3:	C-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)2	N[5](C[5]C[5]C)2	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])2(C[6a]C[6a]2)2	N[5](C[5]C[5]C)2{2|H<1>}	120.3485	1.026	2	120.3485	1.053	2	120.3485	1.053	2	121.3050	2.744	4	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:3:2:	3:3:3:3:	3:3:	C-4:C[5]-3:N[5]-2:	C[5a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	N[5](C[5]C[5]C)2	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	N[5](C[5]C[5]C)2{2|H<1>}	120.9350	0.000	1	120.9350	0.000	1	122.2615	3.519	2	121.3050	2.744	4	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:3:2:	3:3:3:3:	3:3:	C-4:C[5]-3:N[5]-2:	C[5a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	N[5](C[5]C[5]C)2	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	N[5](C[5]C[5]C)2{2|H<1>}	123.5880	0.000	1	123.5880	0.000	1	122.2615	3.519	2	121.3050	2.744	4	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:3:2:	3:3:3:4:	3:3:	C-4:C[5]-3:N[5]-2:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:	C[5](CC[5a]C[5]C)(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])2(CH3)	N[5](C[5]C[5]C)2	C[5](CC[5a]C[5]C)(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])2(CH3)	N[5](C[5]C[5]C)2{2|H<1>}	121.8795	0.426	2	121.8795	0.182	2	121.8795	0.182	2	122.3200	0.673	3	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:3:2:	3:3:3:4:	3:3:	C-4:C[5]-3:N[5]-2:	C[5a]-3:C[5]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:	C[5](CC[5a]C[6a]C)(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	N[5](C[5]C[5]C)2	C[5](CC[5a]C[6a]C)(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	N[5](C[5]C[5]C)2{2|H<1>}	123.2010	0.000	1	123.2010	0.000	1	123.2010	0.000	1	122.3200	0.673	3	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:3:2:	3:4:3:3:	3:3:	C-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	N[5](C[5]C[5]C)2	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	N[5](C[5]C[5]C)2{2|H<1>}	121.8590	1.825	6	121.8590	3.329	6	121.8590	3.329	6	121.8590	3.329	6	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:C-4:N[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5,5]CH)(CC[6a]HH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[5]C)	C[5](C[5]C[5,5]CH)(CC[6a]HH)(N[5]N[5]){3|C<3>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[5]C){1|H<1>,5|C<3>}	121.5550	0.000	1	121.5550	0.000	1	121.5550	0.000	1	121.5550	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:4:2:	3:3:1:1:	4:3:	C[5]-4:C-4:N[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]O[5]C)(C[5]C[5]C)	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5]){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]O[5]C)(C[5]C[5]C){2|C<3>,2|H<1>}	123.6540	0.000	1	123.6540	0.000	1	123.6540	0.000	1	123.6540	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:4:2:	3:3:3:1:	3:2:	C-4:C[5]-4:N[5]-2:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C[5]-3:O[5]-2:	C[5](CC[5a]C[6a]H)(C[5]C[5]CH)(N[5]O[5])	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5]C)(O[5]C[5])	C[5](CC[5a]C[6a]H)(C[5]C[5]CH)(N[5]O[5]){2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5]C)(O[5]C[5]){1|C<4>,3|H<1>}	123.7920	0.000	1	123.7920	0.000	1	123.7920	0.000	1	123.7920	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	960	0:SP2_SP2_SP3	C[5]	C	N[5]	4:4:2:	3:3:4:1:	3:2:	C[5]-4:C-4:N[5]-2:	C[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:O[5]-2:	C[5](C[5]C[5]CH)(CC[6a]CH)(N[5]O[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	N[5](C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5]CH)(CC[6a]CH)(N[5]O[5]){2|H<1>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	N[5](C[5]C[5]C)(O[5]C[5]){1|C<4>,3|H<1>}	123.5650	0.000	1	123.5650	0.000	1	123.5650	0.000	1	123.5650	0.000	1	122.9910	7.627	1103	122.9935	7.627	1104
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[5]C[5]O)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CH3){1|C<3>,1|O<1>}	C(C[5]N[5]O[5])(H)3	O[5](C[5]C[5]O)(C[5]N[5]C){1|C<3>}	115.3478	0.341	15	115.3478	0.116	15	115.3478	0.116	15	115.3478	0.116	15	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5,5]-4:C[5]-3:	C[5](N[5]C[5,5])(O[5]C[5,5])(CCl3)	C(C[5]N[5]O[5])(Cl)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5,5])(O[5]C[5,5])(CCl3){1|C<3>,1|H<1>,2|C<4>}	C(C[5]N[5]O[5])(Cl)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	113.7680	0.000	1	113.7680	0.000	1	113.7680	0.000	1	114.5630	1.466	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5,6,6]-4:C[5]-3:	C[5](N[5]C[5,6,6])(O[5]C[5,6,6])(CCl3)	C(C[5]N[5]O[5])(Cl)3	O[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]N[5]C)	C[5](N[5]C[5,6,6])(O[5]C[5,6,6])(CCl3){1|O<2>,3|C<4>}	C(C[5]N[5]O[5])(Cl)3	O[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]N[5]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	113.6680	0.000	1	113.6680	0.000	1	113.6680	0.000	1	114.5630	1.466	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5,6]-4:C[5]-3:	C[5](N[5]C[5,6])(O[5]C[5,6])(CCl3)	C(C[5]N[5]O[5])(Cl)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]C)	C[5](N[5]C[5,6])(O[5]C[5,6])(CCl3){1|C<3>,3|C<4>}	C(C[5]N[5]O[5])(Cl)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]C){1|C<3>,1|O<1>,2|C<4>}	114.1990	0.000	1	113.7200	0.459	2	113.7200	0.459	2	114.5630	1.466	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5,6]-4:C[5]-3:	C[5](N[5]C[5,6])(O[5]C[5,6])(CCl3)	C(C[5]N[5]O[5])(Cl)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]C)	C[5](N[5]C[5,6])(O[5]C[5,6])(CCl3){1|C<4>,1|O<2>,2|C<3>}	C(C[5]N[5]O[5])(Cl)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]C){1|C<4>,1|O<2>,2|C<3>}	113.2410	0.000	1	113.7200	0.459	2	113.7200	0.459	2	114.5630	1.466	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CCl3)	C(C[5]N[5]O[5])(Cl)3	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CCl3){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(Cl)3	O[5](C[5]C[5]HH)(C[5]N[5]C){2|C<4>}	113.4778	0.478	6	113.4778	0.228	6	113.4778	0.228	6	114.5630	1.466	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[4,5]-4:C[5]-3:	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]C)	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]N[5]O[5])(H)3	O[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]C){1|C<3>,1|C<4>}	114.7190	0.000	1	114.7190	0.000	1	114.8960	0.094	5	114.5630	1.466	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[4,5]-4:C[5]-3:	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[4,5]C[4,5]O[4]O)(C[5]N[5]C)	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3){2|C<4>,2|O<2>}	C(C[5]N[5]O[5])(H)3	O[5](C[4,5]C[4,5]O[4]O)(C[5]N[5]C){2|C<4>}	114.9402	0.334	4	114.9402	0.112	4	114.8960	0.094	5	114.5630	1.466	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5](N[5]C[5,5])(O[5]C[5,5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]N[5]C)	C[5](N[5]C[5,5])(O[5]C[5,5])(CH3){1|O<2>,3|C<4>}	C(C[5]N[5]O[5])(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]N[5]C){3|C<4>}	115.4310	0.000	1	115.4310	0.000	1	115.4310	0.000	1	114.5630	1.466	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3){1|C<3>,1|H<1>,2|O<2>}	C(C[5]N[5]O[5])(H)3	O[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C){1|O<2>,2|C<3>}	114.2830	0.000	1	114.5470	0.139	2	114.5470	0.139	2	114.5630	1.466	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3){1|C<4>,1|O<2>,2|H<1>}	C(C[5]N[5]O[5])(H)3	O[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C){1|H<1>,2|C<4>}	114.8110	0.000	1	114.5470	0.139	2	114.5470	0.139	2	114.5630	1.466	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[5]C[6a]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5])(H)3	O[5](C[5]C[6a]C[5]H)(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	115.7110	0.000	1	115.7110	0.000	1	114.1217	2.007	3	114.5630	1.466	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]P[5])(O[5]C[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[5]C[6a]P[5]H)(C[5]N[5]C)	C[5](N[5]P[5])(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|W<6>}	C(C[5]N[5]O[5])(H)3	O[5](C[5]C[6a]P[5]H)(C[5]N[5]C){1|C<4>,1|W<6>,2|C<3>}	112.9910	0.000	1	112.9910	0.000	1	114.1217	2.007	3	114.5630	1.466	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]P[5])(O[5]C[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[5]P[5]CH)(C[5]N[5]C)	C[5](N[5]P[5])(O[5]C[5])(CH3){1|H<1>,1|W<6>,2|C<4>}	C(C[5]N[5]O[5])(H)3	O[5](C[5]P[5]CH)(C[5]N[5]C){1|C<4>,1|W<6>}	113.6630	0.000	1	113.6630	0.000	1	114.1217	2.007	3	114.5630	1.466	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	4:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5](O[5]C[5,5])(N[5]C[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]C)	C[5](O[5]C[5,5])(N[5]C[5])(CH3){1|H<1>,3|C<3>}	C(C[5]N[5]O[5])(H)3	O[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]C){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	114.3060	0.000	1	114.3060	0.000	1	114.3060	0.000	1	114.5630	1.466	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	4:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](O[5]C[5,6])(N[5]C[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]C)	C[5](O[5]C[5,6])(N[5]C[5])(CH3){1|C<4>,3|C<3>}	C(C[5]N[5]O[5])(H)3	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]C){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	114.6569	0.700	7	114.6569	0.490	7	114.6569	0.490	7	114.5630	1.466	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	4:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	Si[5,6]-4:C[5]-3:	C[5](O[5]Si[5,6])(N[5]N[5,6])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](Si[5,6]N[5,6]C[6]O)(C[5]N[5]C)	C[5](O[5]Si[5,6])(N[5]N[5,6])(CH3){1|O<2>,2|C<4>}	C(C[5]N[5]O[5])(H)3	O[5](Si[5,6]N[5,6]C[6]O)(C[5]N[5]C){2|C<4>,2|H<1>}	116.8490	0.130	2	116.8490	0.017	2	116.8490	0.017	2	114.5630	1.466	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	4:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	Si[5]-4:C[5]-3:	C[5](O[5]Si[5])(N[5]N[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](Si[5]N[5]CO)(C[5]N[5]C)	C[5](O[5]Si[5])(N[5]N[5])(CH3){1|O<2>,2|C<4>}	C(C[5]N[5]O[5])(H)3	O[5](Si[5]N[5]CO)(C[5]N[5]C){1|C<4>}	118.3020	0.000	1	118.3020	0.000	1	118.3020	0.000	1	114.5630	1.466	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	5:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:F-1:F-1:F-1:	Si[5,5]-5:C[5]-3:	C[5](O[5]Si[5,5])(N[5]N[5])(CF3)	C(C[5]N[5]O[5])(F)3	O[5](Si[5,5]C[6]N[5]2O[5])(C[5]N[5]C)	C[5](O[5]Si[5,5])(N[5]N[5])(CF3){1|N<3>,1|O<2>,3|C<4>}	C(C[5]N[5]O[5])(F)3	O[5](Si[5,5]C[6]N[5]2O[5])(C[5]N[5]C){1|C<3>,1|H<1>,1|N<2>,5|C<4>}	115.6480	0.000	1	116.2440	0.710	2	116.2440	0.710	2	116.9156	0.814	9	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	5:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:F-1:F-1:F-1:	Si[5,5]-5:C[5]-3:	C[5](O[5]Si[5,5])(N[5]N[5])(CF3)	C(C[5]N[5]O[5])(F)3	O[5](Si[5,5]C[6]N[5]2O[5])(C[5]N[5]C)	C[5](O[5]Si[5,5])(N[5]N[5])(CF3){1|N<4>,1|O<2>,2|C<4>}	C(C[5]N[5]O[5])(F)3	O[5](Si[5,5]C[6]N[5]2O[5])(C[5]N[5]C){1|C<3>,1|H<1>,1|N<2>,5|C<4>}	116.8400	0.000	1	116.2440	0.710	2	116.2440	0.710	2	116.9156	0.814	9	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	5:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	Si[5,5]-5:C[5]-3:	C[5](O[5]Si[5,5])(N[5]N[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](Si[5,5]C[6a]N[5]2O[5])(C[5]N[5]C)	C[5](O[5]Si[5,5])(N[5]N[5])(CH3){1|C<3>,1|N<4>,1|O<2>,2|C<4>}	C(C[5]N[5]O[5])(H)3	O[5](Si[5,5]C[6a]N[5]2O[5])(C[5]N[5]C){1|N<2>,3|C<3>,4|C<4>}	115.9530	0.143	2	115.9530	0.020	2	117.0822	0.924	6	116.9156	0.814	9	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	5:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	Si[5,5]-5:C[5]-3:	C[5](O[5]Si[5,5])(N[5]N[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](Si[5,5]N[5]2O[5]C)(C[5]N[5]C)	C[5](O[5]Si[5,5])(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C(C[5]N[5]O[5])(H)3	O[5](Si[5,5]N[5]2O[5]C)(C[5]N[5]C){1|C<4>,1|N<2>,2|C<3>}	118.0215	0.029	2	117.6467	0.258	4	117.0822	0.924	6	116.9156	0.814	9	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	5:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	Si[5,5]-5:C[5]-3:	C[5](O[5]Si[5,5])(N[5]N[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](Si[5,5]N[5]2O[5]C)(C[5]N[5]C)	C[5](O[5]Si[5,5])(N[5]N[5])(CH3){1|N<3>,1|O<2>,2|C<4>}	C(C[5]N[5]O[5])(H)3	O[5](Si[5,5]N[5]2O[5]C)(C[5]N[5]C){1|C<4>,1|N<2>,2|C<3>}	117.2720	0.458	2	117.6467	0.258	4	117.0822	0.924	6	116.9156	0.814	9	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	5:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	Si[5,6]-5:C[5]-3:	C[5](O[5]Si[5,6])(N[5]N[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](Si[5,6]N[5]N[6]2H)(C[5]N[5]C)	C[5](O[5]Si[5,6])(N[5]N[5])(CH3){1|C<3>,1|H<1>,2|N<3>}	C(C[5]N[5]O[5])(H)3	O[5](Si[5,6]N[5]N[6]2H)(C[5]N[5]C){5|C<3>}	117.2590	0.000	1	117.2590	0.000	1	117.2590	0.000	1	116.9156	0.814	9	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:1:1:1:	6:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	Si[3x5]-6:C[5]-3:	C[5](O[5]Si[3x5])(N[5]O[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](Si[3x5]O[5]5)(C[5]N[5]C)	C[5](O[5]Si[3x5])(N[5]O[5])(CH3){4|O<2>}	C(C[5]N[5]O[5])(H)3	O[5](Si[3x5]O[5]5)(C[5]N[5]C){2|C<3>,2|N<2>}	117.8850	0.080	3	117.8850	0.006	3	117.8850	0.006	3	117.8850	0.006	3	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:2:1:1:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5])(O[5]C[5])(CHHO)	C(C[5]N[5]O[5])(OC[6a])(H)2	O[5](C[5]N[5]C)(C[5]N[5]S)	C[5](N[5]N[5])(O[5]C[5])(CHHO){1|H<1>,1|S<1>}	C(C[5]N[5]O[5])(OC[6a])(H)2	O[5](C[5]N[5]C)(C[5]N[5]S){1|H<1>}	118.3305	0.685	2	118.3305	0.469	2	118.3305	0.469	2	118.7240	0.699	3	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:2:1:1:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:S-2:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5])(O[5]C[5])(CHHS)	C(C[5]N[5]O[5])(SC[6a])(H)2	O[5](C[5]N[5]C)(C[5]N[5]S)	C[5](N[5]N[5])(O[5]C[5])(CHHS){1|C<4>,1|S<1>}	C(C[5]N[5]O[5])(SC[6a])(H)2	O[5](C[5]N[5]C)(C[5]N[5]S){1|C<4>}	119.5110	0.000	1	119.5110	0.000	1	119.5110	0.000	1	118.7240	0.699	3	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:2:4:1:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:O-2:C-4:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5])(O[5]C[5])(CCHO)	C(C[5]N[5]O[5])(OC[6a])(CH3)(H)	O[5](C[5]N[5]C)(C[5]N[5]S)	C[5](N[5]N[5])(O[5]C[5])(CCHO){1|H<1>,1|S<1>}	C(C[5]N[5]O[5])(OC[6a])(CH3)(H)	O[5](C[5]N[5]C)(C[5]N[5]S){1|H<1>}	118.2050	0.000	1	118.2050	0.000	1	118.2050	0.000	1	118.2050	0.000	1	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:3:1:1:	3:3:	C[5]-2:O[5]-2:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5])(O[5]C[5])(CHHN)	C(C[5]C[5]O[5])(NCH)(H)2	O[5](C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5])(O[5]C[5])(CHHN){2|H<1>}	C(C[5]C[5]O[5])(NCH)(H)2	O[5](C[5]C[5]C)(C[5]C[5]H){1|H<1>}	118.4830	0.000	1	118.4830	0.000	1	120.3533	2.655	3	120.3533	2.655	3	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:3:1:1:	3:3:	C[5]-2:O[5]-2:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5])(O[5]C[5])(CHHN)	C(C[5]C[5]O[5])(NC[6]H)(H)2	O[5](C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5])(O[5]C[5])(CHHN){2|H<1>}	C(C[5]C[5]O[5])(NC[6]H)(H)2	O[5](C[5]C[5]C)(C[5]C[5]H){1|H<1>}	121.1100	0.000	1	121.1100	0.000	1	120.3533	2.655	3	120.3533	2.655	3	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:3:1:1:	3:3:	C[5]-2:O[5]-2:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5])(O[5]C[5])(CHHN)	C(C[5]C[5]O[5])(NC[6a]H)(H)2	O[5](C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5])(O[5]C[5])(CHHN){2|H<1>}	C(C[5]C[5]O[5])(NC[6a]H)(H)2	O[5](C[5]C[5]C)(C[5]C[5]H){1|H<1>}	121.4670	0.000	1	121.4670	0.000	1	120.3533	2.655	3	120.3533	2.655	3	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:3:1:1:	5:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	Si[5,5,6]-5:C[5]-3:	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	O[5](Si[5,5,6]N[5,6]2O[5]C)(C[5]N[5]C)	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	O[5](Si[5,5,6]N[5,6]2O[5]C)(C[5]N[5]C){1|C<4>,1|N<2>,2|C<3>}	116.7790	0.000	1	116.4125	0.269	2	116.4125	0.269	2	116.4125	0.269	2	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:3:1:1:	5:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	Si[5,5,6]-5:C[5]-3:	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	O[5](Si[5,5,6]N[5,6]2O[5]C)(C[5]N[5]C)	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC[6a]HH){1|N<3>,1|O<2>,2|C<4>}	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	O[5](Si[5,5,6]N[5,6]2O[5]C)(C[5]N[5]C){1|C<4>,1|N<2>,2|C<3>}	116.0460	0.000	1	116.4125	0.269	2	116.4125	0.269	2	116.4125	0.269	2	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:3:3:4:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C)	C(C[5]N[5]O[5])2(C[5]C[5]2)(CH3)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])2(C[5]C[5]2)(CH3)	O[5](C[5]C[5]HH)(C[5]N[5]C){2|C<4>}	114.1330	0.813	2	114.1330	0.661	2	114.1330	0.661	2	114.1330	0.661	2	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:3:4:4:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CCHH)(CH3)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC[5]CC){1|C<4>,3|H<1>}	C(C[5]N[5]O[5])2(CCHH)(CH3)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|C<4>,1|H<1>}	113.6065	0.617	2	113.6065	0.381	2	114.2378	0.702	4	114.4587	0.663	7	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:3:4:4:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC[5]CC){1|C<3>,3|H<1>}	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|C<3>,1|H<1>}	114.8690	0.361	2	114.8690	0.130	2	114.2378	0.702	4	114.4587	0.663	7	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:3:4:4:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C)	C(C[5]N[5]O[5])2(C[5]C[5]2H)(CH3)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])2(C[5]C[5]2H)(CH3)	O[5](C[5]C[5]HH)(C[5]N[5]C){2|C<4>}	115.2370	0.129	2	115.2370	0.017	2	114.7533	0.710	3	114.4587	0.663	7	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:3:4:4:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C)	C(C[5]N[5]O[5])2(C[5]C[5]2Ti)(CH3)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])2(C[5]C[5]2Ti)(CH3)	O[5](C[5]C[5]HH)(C[5]N[5]C){2|C<4>}	113.7860	0.000	1	113.7860	0.000	1	114.7533	0.710	3	114.4587	0.663	7	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:1:1:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5])(O[5]C[5])(CCHH)	C(C[5]N[5]O[5])(CCHH)(H)2	O[5](C[5]N[5]C)(C[5]N[5]S)	C[5](N[5]N[5])(O[5]C[5])(CCHH){1|H<1>,1|S<1>}	C(C[5]N[5]O[5])(CCHH)(H)2	O[5](C[5]N[5]C)(C[5]N[5]S){1|H<1>}	117.8265	0.985	2	117.8265	0.970	2	117.4875	1.651	6	117.4875	1.651	6	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:1:1:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5])(O[5]C[5])(CCHH)	C(C[5]N[5]O[5])(CC[6a]HH)(H)2	O[5](C[5]N[5]C)(C[5]N[5]S)	C[5](N[5]N[5])(O[5]C[5])(CCHH){1|H<1>,1|S<1>}	C(C[5]N[5]O[5])(CC[6a]HH)(H)2	O[5](C[5]N[5]C)(C[5]N[5]S){1|H<1>}	116.9367	1.612	3	116.9367	2.597	3	117.4875	1.651	6	117.4875	1.651	6	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:1:1:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5])(O[5]C[5])(CCHH)	C(C[5]N[5]O[5])(CN[5a]HH)(H)2	O[5](C[5]N[5]C)(C[5]N[5]S)	C[5](N[5]N[5])(O[5]C[5])(CCHH){1|H<1>,1|S<1>}	C(C[5]N[5]O[5])(CN[5a]HH)(H)2	O[5](C[5]N[5]C)(C[5]N[5]S){1|H<1>}	118.4620	0.000	1	118.4620	0.000	1	117.4875	1.651	6	117.4875	1.651	6	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CCHH)	C(C[5]N[5]O[5])(CCCH)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CCHH){1|C<4>,3|H<1>}	C(C[5]N[5]O[5])(CCCH)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|C<4>,1|H<1>}	114.0780	0.000	1	114.0780	0.000	1	114.1467	0.273	6	114.1467	0.273	6	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CCHH)	C(C[5]N[5]O[5])(CCHH)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CCHH){1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5])(CCHH)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|C<3>,1|C<4>}	114.5077	0.446	3	114.1604	0.340	5	114.1467	0.273	6	114.1467	0.273	6	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:1:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CCHH)	C(C[5]N[5]O[5])(CCHH)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CCHH){4|H<1>}	C(C[5]N[5]O[5])(CCHH)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){2|H<1>}	113.6395	0.237	2	114.1604	0.340	5	114.1467	0.273	6	114.1467	0.273	6	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:2:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:S-2:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CCHS)	C(C[5]N[5]O[5])(CC[6a]CH)(SC[6a])(H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CCHS){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(CC[6a]CH)(SC[6a])(H)	O[5](C[5]C[5]HH)(C[5]N[5]C){2|C<4>}	114.7970	0.000	1	114.7970	0.000	1	114.7970	0.000	1	114.7970	0.000	1	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:3:1:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:N-3:H-1:	C[5,6]-3:C[5]-3:	C[5](N[5]C[5,6])(O[5]C[5,6])(CCHN)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	O[5](C[5,6]C[5,6]N[6])(C[5]N[5]C)	C[5](N[5]C[5,6])(O[5]C[5,6])(CCHN){1|C<3>,1|C<4>,1|N<2>}	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	O[5](C[5,6]C[5,6]N[6])(C[5]N[5]C){1|C<4>,2|C<3>}	114.5760	0.000	1	114.5760	0.000	1	114.5760	0.000	1	117.4917	7.602	3	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:3:1:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:N-3:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5])(O[5]C[5])(CCHN)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	O[5](C[5]N[5]C)(C[5]N[5]S)	C[5](N[5]N[5])(O[5]C[5])(CCHN){1|H<1>,1|S<1>}	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	O[5](C[5]N[5]C)(C[5]N[5]S){1|H<1>}	120.0570	0.000	1	120.0570	0.000	1	118.9495	2.453	2	117.4917	7.602	3	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:3:1:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:N-3:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5])(O[5]C[5])(CCHN)	C(C[5]N[5]O[5])(CCHH)(NCH)(H)	O[5](C[5]N[5]C)(C[5]N[5]S)	C[5](N[5]N[5])(O[5]C[5])(CCHN){1|H<1>,1|S<1>}	C(C[5]N[5]O[5])(CCHH)(NCH)(H)	O[5](C[5]N[5]C)(C[5]N[5]S){1|H<1>}	117.8420	0.000	1	117.8420	0.000	1	118.9495	2.453	2	117.4917	7.602	3	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:3:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:N-3:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CCHN)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CCHN){1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]C){1|C<3>,1|H<1>}	114.5630	1.048	6	114.5630	1.098	6	114.5967	0.923	7	114.5724	0.796	8	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:3:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:N-3:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CCHN)	C(C[5]N[5]O[5])(CC[6]HH)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CCHN){1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5])(CC[6]HH)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]C){1|C<3>,1|H<1>}	114.7990	0.000	1	114.7990	0.000	1	114.5967	0.923	7	114.5724	0.796	8	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:3:1:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C[6]-4:N-3:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CC[6]HN)	C(C[5]N[5]O[5])(C[6]C[6]2H)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC[6]HN){1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5])(C[6]C[6]2H)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]C){1|C<3>,1|H<1>}	114.4020	0.000	1	114.4020	0.000	1	114.4020	0.000	1	114.5724	0.796	8	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:4:2:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:C-4:O-2:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CCCO)	C(C[5]N[5]O[5])(CH3)2(OP)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CCCO){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(CH3)2(OP)	O[5](C[5]C[5]HH)(C[5]N[5]C){2|C<4>}	114.4038	0.790	4	114.4038	0.624	4	114.4038	0.624	4	114.4038	0.624	4	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:4:4:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CC3)	C(C[5]N[5]O[5])(CH3)3	O[5](C[5]C[5]C)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC3){1|C<3>,2|H<1>}	C(C[5]N[5]O[5])(CH3)3	O[5](C[5]C[5]C)(C[5]N[5]C){2|H<1>}	113.2850	0.000	1	113.2850	0.000	1	113.7398	0.428	4	113.7470	0.321	5	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:4:4:	3:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CC3)	C(C[5]N[5]O[5])(CH3)3	O[5](C[5]C[5]O)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC3){1|O<1>,2|C<4>}	C(C[5]N[5]O[5])(CH3)3	O[5](C[5]C[5]O)(C[5]N[5]C){2|C<4>}	113.8913	0.710	3	113.8913	0.504	3	113.7398	0.428	4	113.7470	0.321	5	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:4:4:	3:3:	O[5]-2:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:	C[5](O[5]C[5,6a])(P[5]C[5,6a])(CC3)	C(C[5]O[5]P[5])(CH3)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)	C[5](O[5]C[5,6a])(P[5]C[5,6a])(CC3){2|C<3>}	C(C[5]O[5]P[5])(CH3)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C){1|H<1>,2|C<3>}	113.7760	0.000	1	113.7760	0.000	1	113.7760	0.000	1	113.7470	0.321	5	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:4:4:	4:3:	N[5]-2:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5])(O[5]C[5])(CC3)	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC3){1|C<4>,3|H<1>}	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|C<4>,1|H<1>}	115.2630	0.000	1	115.2630	0.000	1	115.2630	0.000	1	115.2630	0.000	1	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:4:4:	5:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	Si[5,5,6]-5:C[5]-3:	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC3)	C(C[5]N[5]O[5])(CH3)3	O[5](Si[5,5,6]N[5,6]2O[5]C)(C[5]N[5]C)	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C(C[5]N[5]O[5])(CH3)3	O[5](Si[5,5,6]N[5,6]2O[5]C)(C[5]N[5]C){1|C<4>,1|N<2>,2|C<3>}	117.0180	0.000	1	117.0450	0.001	2	117.0450	0.001	2	117.0450	0.001	2	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:2:4:	3:4:4:4:	5:3:	O[5]-2:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	Si[5,5,6]-5:C[5]-3:	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC3)	C(C[5]N[5]O[5])(CH3)3	O[5](Si[5,5,6]N[5,6]2O[5]C)(C[5]N[5]C)	C[5](O[5]Si[5,5,6])(N[5]N[5,6])(CC3){1|N<3>,1|O<2>,2|C<4>}	C(C[5]N[5]O[5])(CH3)3	O[5](Si[5,5,6]N[5,6]2O[5]C)(C[5]N[5]C){1|C<4>,1|N<2>,2|C<3>}	117.0720	0.000	1	117.0450	0.001	2	117.0450	0.001	2	117.0450	0.001	2	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:3:4:	3:1:1:1:	4:3:	O[5]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5](O[5]C[5,5])(C[5]C[5]H)(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)	C[5](O[5]C[5,5])(C[5]C[5]H)(CH3){1|O<1>,2|C<3>}	C(C[5]C[5]O[5])(H)3	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	113.1020	0.000	1	113.1020	0.000	1	113.2700	0.056	2	114.7008	7.143	10	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:3:4:	3:1:1:1:	4:3:	O[5]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5](O[5]C[5,5])(C[5]C[5]H)(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]C)	C[5](O[5]C[5,5])(C[5]C[5]H)(CH3){2|H<1>,2|N<3>}	C(C[5]C[5]O[5])(H)3	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]C){2|C<3>,2|C<4>,3|H<1>}	113.4380	0.000	1	113.4380	0.000	1	113.2700	0.056	2	114.7008	7.143	10	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:3:4:	3:1:1:1:	4:3:	O[5]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](O[5]C[5,6])(C[5]C[5]C)(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)	C[5](O[5]C[5,6])(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	C(C[5]C[5]O[5])(H)3	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]C){2|C<4>,2|H<1>,3|C<3>}	112.4380	0.000	1	112.4380	0.000	1	114.8782	2.725	5	114.7008	7.143	10	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:3:4:	3:1:1:1:	4:3:	O[5]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](O[5]C[5,6])(C[5]C[5]H)(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5,6]C[5]N[6]2)(C[5]C[5]C)	C[5](O[5]C[5,6])(C[5]C[5]H)(CH3){2|H<1>,2|N<3>}	C(C[5]C[5]O[5])(H)3	O[5](C[5,6]C[5]N[6]2)(C[5]C[5]C){3|H<1>,4|C<3>}	114.0360	0.000	1	114.0360	0.000	1	114.8782	2.725	5	114.7008	7.143	10	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:3:4:	3:1:1:1:	4:3:	O[5]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](O[5]C[5,6])(C[5]O[5]C)(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5,6]C[6]2O[5])(C[5]C[5]C)	C[5](O[5]C[5,6])(C[5]O[5]C)(CH3){2|C<4>}	C(C[5]C[5]O[5])(H)3	O[5](C[5,6]C[6]2O[5])(C[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	115.9723	0.568	3	115.9723	0.323	3	114.8782	2.725	5	114.7008	7.143	10	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:3:4:	3:1:1:1:	4:3:	O[5]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	Ge[5,5]-4:C[5]-3:	C[5](O[5]Ge[5,5])(C[5]O[5]C)(CH3)	C(C[5]C[5]O[5])(H)3	O[5](Ge[5,5]Si[5]2O[5])(C[5]C[5]C)	C[5](O[5]Ge[5,5])(C[5]O[5]C)(CH3){2|Si<4>}	C(C[5]C[5]O[5])(H)3	O[5](Ge[5,5]Si[5]2O[5])(C[5]C[5]C){6|Si<4>,1|C<4>}	112.5415	0.385	2	112.5415	0.149	2	112.5415	0.149	2	114.7008	7.143	10	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:3:4:	3:1:1:1:	4:3:	O[5]-2:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	B[5,5]-4:C[5]-3:	C[5](O[5]B[5,5])(N[5]C[5]H)(CH3)	C(C[5]N[5]O[5])(H)3	O[5](B[5,5]C[5]O[5]2)(C[5]N[5]C)	C[5](O[5]B[5,5])(N[5]C[5]H)(CH3){1|C<3>,1|H<1>,2|O<2>}	C(C[5]N[5]O[5])(H)3	O[5](B[5,5]C[5]O[5]2)(C[5]N[5]C){1|C<3>,2|C<4>,2|H<1>}	120.9940	0.000	1	120.9940	0.000	1	120.9940	0.000	1	114.7008	7.143	10	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:3:4:	3:4:1:1:	4:3:	O[5]-2:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5](O[5]C[5,5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]O[5])(CH3)(H)2	O[5](C[5,5]C[5]3)(C[5]C[5]C)	C[5](O[5]C[5,5])(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]O[5])(CH3)(H)2	O[5](C[5,5]C[5]3)(C[5]C[5]C){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	114.3870	0.000	1	114.3870	0.000	1	114.3870	0.000	1	114.3870	0.000	1	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:3:4:	3:4:1:1:	5:3:	O[5]-2:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	Ge[5,5]-5:C[5]-3:	C[5](O[5]Ge[5,5])(N[5]C[5]C)(CCHH)	C(C[5]N[5]O[5])(CCHH)(H)2	O[5](Ge[5,5]C[5]2O[5]Cl)(C[5]N[5]C)	C[5](O[5]Ge[5,5])(N[5]C[5]C)(CCHH){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	C(C[5]N[5]O[5])(CCHH)(H)2	O[5](Ge[5,5]C[5]2O[5]Cl)(C[5]N[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.9290	0.489	2	117.9290	0.239	2	117.9290	0.239	2	117.9290	0.239	2	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	2:3:4:	3:4:4:4:	5:3:	O[5]-2:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	P[4,5,5]-5:C[5]-3:	C[5](O[5]P[4,5,5])(C[5]N[5,5]H)(CC3)	C(C[5]C[5]O[5])(CH3)3	O[5](P[4,5,5]N[5,5]N[4]2O[5])(C[5]C[5]C)	C[5](O[5]P[4,5,5])(C[5]N[5,5]H)(CC3){1|C<3>,1|O<2>,2|N<3>}	C(C[5]C[5]O[5])(CH3)3	O[5](P[4,5,5]N[5,5]N[4]2O[5])(C[5]C[5]C){1|H<1>,1|P<5>,4|C<3>}	115.0403	1.042	6	115.0403	1.086	6	115.0403	1.086	6	115.0403	1.086	6	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	B[5]-3:C[5]-3:	C[5](C[5]B[5]H)(O[5]B[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](B[5]B[5]C[5])(C[5]C[5]C)	C[5](C[5]B[5]H)(O[5]B[5])(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5])(H)3	O[5](B[5]B[5]C[5])(C[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	113.0840	0.000	1	113.0840	0.000	1	113.0840	0.000	1	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]C)(C[5]C[5]O){1|N<3>,2|C<3>}	113.8030	0.000	1	113.8030	0.000	1	115.8134	2.546	11	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]C)2	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3){1|Ru<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]C)2{1|Ru<5>,1|C<3>,1|H<1>}	115.1600	0.000	1	115.1600	0.000	1	115.8134	2.546	11	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CH3){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]C)(C[5]C[5]O){1|C<4>,2|H<1>}	113.7030	0.000	1	113.7030	0.000	1	115.8134	2.546	11	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]C)(C[5]N[5]C)	C[5](C[5]N[5]C)(O[5]C[5])(CH3){1|Al<6>,1|C<3>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]C)(C[5]N[5]C){1|Al<6>,1|C<4>}	116.7187	0.476	3	116.9206	0.190	5	115.8134	2.546	11	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]C)(C[5]N[5]C)	C[5](C[5]N[5]C)(O[5]C[5])(CH3){1|Co<4>,1|C<3>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]C)(C[5]N[5]C){1|Co<4>,1|C<4>}	117.2235	0.057	2	116.9206	0.190	5	115.8134	2.546	11	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]N[5]H)(O[5]C[5])(CH3){1|H<1>,1|O<2>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]C)(C[5]N[5]O){2|H<1>}	116.2890	0.000	1	116.2890	0.000	1	115.8134	2.546	11	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]O[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[6a]O[5])(C[5]C[5]C)	C[5](C[5]O[5]C)(O[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[6a]O[5])(C[5]C[5]C){1|C<4>,2|C<3>}	117.2750	0.000	1	117.2750	0.000	1	115.8134	2.546	11	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]S[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]C)(C[5]S[5]N)	C[5](C[5]S[5]C)(O[5]C[5])(CH3){1|N<2>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]C)(C[5]S[5]N){1|C<3>}	113.1140	0.000	1	113.1140	0.000	1	115.8134	2.546	11	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]H)(O[5]N[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](N[5]C[5]Co)(C[5]C[5]C)	C[5](C[5]C[5]H)(O[5]N[5])(CH3){1|Co<6>,1|C<3>}	C(C[5]C[5]O[5])(H)3	O[5](N[5]C[5]Co)(C[5]C[5]C){1|C<3>,1|H<1>}	115.6250	0.000	1	115.6250	0.000	1	116.0583	0.571	6	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]H)(O[5]N[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](N[5]C[5]Pd)(C[5]C[5]C)	C[5](C[5]C[5]H)(O[5]N[5])(CH3){1|Pd<4>,1|C<4>}	C(C[5]C[5]O[5])(H)3	O[5](N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>}	115.6720	0.000	1	115.6720	0.000	1	116.0583	0.571	6	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]H)(O[5]N[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](N[5]C[5]Pt)(C[5]C[5]C)	C[5](C[5]C[5]H)(O[5]N[5])(CH3){1|Pt<4>,1|H<1>}	C(C[5]C[5]O[5])(H)3	O[5](N[5]C[5]Pt)(C[5]C[5]C){2|H<1>}	116.7415	1.046	2	116.7415	1.094	2	116.0583	0.571	6	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]H)(O[5]N[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](N[5]C[5]Zn)(C[5]C[5]C)	C[5](C[5]C[5]H)(O[5]N[5])(CH3){1|Zn<4>,1|N<3>}	C(C[5]C[5]O[5])(H)3	O[5](N[5]C[5]Zn)(C[5]C[5]C){1|H<1>,1|N<3>}	115.7850	0.585	2	115.7850	0.343	2	116.0583	0.571	6	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Pd)(O[5]C[5,6a])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a]Pd)(O[5]C[5,6a])(CH3){2|C<3>}	C(C[5]N[5]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Pd<4>,1|H<1>,2|C<3>}	117.6630	0.000	1	117.6630	0.000	1	117.4732	2.244	4	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Pt)(O[5]C[5,6a])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a]Pt)(O[5]C[5,6a])(CH3){2|C<3>}	C(C[5]N[5]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Pt<4>,1|H<1>,2|C<3>}	119.5020	0.000	1	119.5020	0.000	1	117.4732	2.244	4	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Zn)(O[5]C[5,6a])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a]Zn)(O[5]C[5,6a])(CH3){2|C<3>}	C(C[5]N[5]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Zn<4>,1|H<1>,2|C<3>}	116.3640	0.346	2	116.3640	0.120	2	117.4732	2.244	4	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5]Ag)(O[5]C[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[5]C[5]O)(C[5]N[5]C)	C[5](N[5]C[5]Ag)(O[5]C[5])(CH3){1|H<1>,1|O<2>}	C(C[5]N[5]O[5])(H)3	O[5](C[5]C[5]O)(C[5]N[5]C){1|Ag<3>,1|H<1>}	118.1040	0.000	1	118.1040	0.000	1	118.1040	0.000	1	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(O[5]N[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[5]N[5]C)(N[5]C[5]C)	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(O[5]N[5])(CH3){1|B<5>,1|C<3>,1|C<4>,1|H<1>,4|B<6>}	C(C[5]N[5]O[5])(H)3	O[5](C[5]N[5]C)(N[5]C[5]C){1|B<6>,1|C<3>,1|H<1>}	116.5180	0.178	3	116.5180	0.032	3	116.6129	0.899	9	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]Au)(O[5]N[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[5]N[5]C)(N[5]C[5]C)	C[5](N[5]C[5]Au)(O[5]N[5])(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]N[5]O[5])(H)3	O[5](C[5]N[5]C)(N[5]C[5]C){1|Au<2>,1|C<3>,1|H<1>}	116.2120	0.000	1	116.2120	0.000	1	116.6129	0.899	9	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]Pt)(O[5]N[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[5]N[5]C)(N[5]C[5]C)	C[5](N[5]C[5]Pt)(O[5]N[5])(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]N[5]O[5])(H)3	O[5](C[5]N[5]C)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|H<1>}	116.2350	0.717	4	116.7500	1.712	5	116.6129	0.899	9	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]C[5]Pt)(O[5]N[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[5]N[5]C)(N[5]C[5]C)	C[5](N[5]C[5]Pt)(O[5]N[5])(CH3){1|C<3>,1|C<4>}	C(C[5]N[5]O[5])(H)3	O[5](C[5]N[5]C)(N[5]C[5]C){1|Pt<4>,1|C<3>}	118.8100	0.000	1	116.7500	1.712	5	116.6129	0.899	9	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	3:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5]-3:	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]C)	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CH3){1|O<2>,2|C<4>}	C(C[5]N[5]O[5])(H)3	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]C){1|Pt<4>,1|O<2>,4|C<4>}	116.2000	0.000	1	116.2000	0.000	1	116.2000	0.000	1	116.2756	2.037	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5,5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](C[5,5]C[5,5,6]C[5])(O[5]C[5,6])(CH3)	C(C[5]C[5,5]O[5])(H)3	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C)	C[5](C[5,5]C[5,5,6]C[5])(O[5]C[5,6])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[5]C[5,5]O[5])(H)3	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C){1|C<3>,2|H<1>,3|C<4>}	115.6850	0.000	1	115.6850	0.000	1	115.6850	0.000	1	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5,6]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(CH3)	C(C[5]C[5,6]O[5])(H)3	O[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]C)	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C(C[5]C[5,6]O[5])(H)3	O[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]C){1|C<4>,1|H<1>,3|C<3>}	114.6770	0.000	1	114.6770	0.000	1	114.6770	0.000	1	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	B[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)	C(C[5]C[5,6a]O[5])(H)3	O[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3){1|H<1>,4|C<3>}	C(C[5]C[5,6a]O[5])(H)3	O[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C){6|C<3>}	119.1880	0.000	1	119.1880	0.000	1	119.1880	0.000	1	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[3x5]-4:C[5]-3:	C[5](C[5]C[5,5]C)(O[5]C[3x5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[3x5]C[5,5]2C[5])(C[5]C[5]C)	C[5](C[5]C[5,5]C)(O[5]C[3x5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5])(H)3	O[5](C[3x5]C[5,5]2C[5])(C[5]C[5]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	113.3640	0.000	1	113.3640	0.000	1	113.3640	0.000	1	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[4,5,6]-4:C[5]-3:	C[5](C[5]C[4,5,6]C)(O[5]C[4,5,6])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[4,5,6]C[4,5,6]C[3,4]C[6])(C[5]C[5]C)	C[5](C[5]C[4,5,6]C)(O[5]C[4,5,6])(CH3){2|C<3>,2|C<4>}	C(C[5]C[5]O[5])(H)3	O[5](C[4,5,6]C[4,5,6]C[3,4]C[6])(C[5]C[5]C){1|O<1>,3|C<3>,3|C<4>}	113.6380	0.000	1	113.6380	0.000	1	113.6380	0.000	1	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:	C[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5]C[5]C)	C[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])(CH3){1|O<2>,3|C<4>}	C(C[5]C[5]O[5])(H)3	O[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	111.7260	0.000	2	111.7260	0.000	2	111.7260	0.000	2	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5](C[5]C[5,5]C)(O[5]C[5,5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(CH3){1|C<3>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	112.7420	0.000	1	112.7420	0.000	1	113.9100	2.728	2	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5](C[5]C[5,5]H)(O[5]C[5,5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)	C[5](C[5]C[5,5]H)(O[5]C[5,5])(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	115.0780	0.000	1	115.0780	0.000	1	113.9100	2.728	2	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5])(H)3	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C){1|C<3>,1|H<1>,2|C<4>}	112.0370	0.000	1	112.0370	0.000	1	113.3578	1.682	4	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CH3){1|H<1>,1|N<3>,2|C<4>}	C(C[5]C[5]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	113.8960	0.000	1	114.4040	0.516	2	113.3578	1.682	4	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CH3){1|H<1>,1|N<3>,2|C<4>}	C(C[5]C[5]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C){1|C<3>,1|N<3>,4|H<1>}	114.9120	0.000	1	114.4040	0.516	2	113.3578	1.682	4	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5,6])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(O[5]C[5,6])(CH3){1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5]O[5])(H)3	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	112.5860	0.000	1	112.5860	0.000	1	113.3578	1.682	4	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[3,5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[3,5]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[3,5]C)(O[5]C[5])(CH3){2|C<3>,2|C<4>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[3,5]C[6a]2)(C[5]C[5]C){2|C<4>,5|C<3>}	112.9270	0.000	1	112.9270	0.000	1	114.1262	1.004	16	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5,5]CH)(C[5]C[5]C)	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3){1|H<1>,3|C<3>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5,5]CH)(C[5]C[5]C){3|C<3>}	112.5150	0.000	1	112.5150	0.000	1	114.1262	1.004	16	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C){1|H<1>,2|C<3>}	114.1200	0.000	1	114.1200	0.000	1	114.1262	1.004	16	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CH3){2|C<3>,2|H<1>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]CH)(C[5]C[5]C){1|H<1>,2|C<3>}	114.1085	0.334	2	114.1085	0.112	2	114.1262	1.004	16	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]CO)(C[5]C[5]C){1|N<3>,2|C<3>}	113.7790	0.000	1	114.1593	0.563	3	114.1262	1.004	16	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|O<2>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]CO)(C[5]C[5]C){1|O<2>,2|C<3>}	113.6750	0.000	1	114.1593	0.563	3	114.1262	1.004	16	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]CO)(C[5]C[5]C){1|C<3>,1|O<1>}	115.0240	0.000	1	114.1593	0.563	3	114.1262	1.004	16	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,3|H<1>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]HH)(C[5]C[5]C){1|H<1>,2|C<3>}	113.8420	0.561	2	113.8420	0.315	2	114.1262	1.004	16	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CH3){2|C<3>,2|H<1>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5]C){1|H<1>,4|C<3>}	113.9580	0.000	1	113.9580	0.000	1	114.1262	1.004	16	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]O)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]O)(C[5]C[5]C){1|O<1>,3|C<3>}	114.2600	0.000	1	114.2600	0.000	1	114.1262	1.004	16	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]SiTi)(C[5]C[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CH3){1|Si<5>,1|Ti<7>,1|H<1>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]SiTi)(C[5]C[5]C){2|H<1>}	116.2315	0.129	2	116.2315	0.017	2	114.1262	1.004	16	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]S)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]S)(O[5]C[5])(CH3){1|C<3>,2|H<1>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|S<4>}	113.6080	0.000	1	113.6080	0.000	1	114.1262	1.004	16	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]S)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]HN)(C[5]C[5]C)	C[5](C[5]C[5]S)(O[5]C[5])(CH3){1|C<3>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]HN)(C[5]C[5]C){1|C<3>,1|H<1>,1|S<4>}	113.7900	0.000	1	113.7900	0.000	1	114.1262	1.004	16	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	N[5,6]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	B[5]-4:C[5]-3:	C[5](N[5,6]N[5,6]B[6])(O[5]B[5])(CH3)	C(C[5]N[5,6]O[5])(H)3	O[5](B[5]N[5,6]FF)(C[5]N[5,6]C)	C[5](N[5,6]N[5,6]B[6])(O[5]B[5])(CH3){1|C<3>,1|N<3>,4|F<1>}	C(C[5]N[5,6]O[5])(H)3	O[5](B[5]N[5,6]FF)(C[5]N[5,6]C){1|B<4>,1|C<3>}	119.9980	0.000	1	119.9980	0.000	1	119.9980	0.000	1	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Pd)(O[5]C[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Pd)(O[5]C[5])(CH3){4|H<1>}	C(C[5]N[5]O[5])(H)3	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<4>,2|H<1>}	115.6720	0.027	2	115.6720	0.001	2	115.1207	0.912	3	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Re)(O[5]C[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Re)(O[5]C[5])(CH3){4|H<1>}	C(C[5]N[5]O[5])(H)3	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Re<6>,2|H<1>}	114.0180	0.000	1	114.0180	0.000	1	115.1207	0.912	3	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	Si[5]-4:C[5]-3:	C[5](N[5]C[5]C)(O[5]Si[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](Si[5]C[5]CC)(C[5]N[5]C)	C[5](N[5]C[5]C)(O[5]Si[5])(CH3){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(H)3	O[5](Si[5]C[5]CC)(C[5]N[5]C){1|C<4>,2|H<1>}	117.3270	0.000	1	117.3270	0.000	1	117.0623	0.103	3	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:1:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	Si[5]-4:C[5]-3:	C[5](N[5]C[5]C)(O[5]Si[5])(CH3)	C(C[5]N[5]O[5])(H)3	O[5](Si[5]C[5]Si2)(C[5]N[5]C)	C[5](N[5]C[5]C)(O[5]Si[5])(CH3){2|Si<4>,2|H<1>}	C(C[5]N[5]O[5])(H)3	O[5](Si[5]C[5]Si2)(C[5]N[5]C){1|C<4>,2|H<1>}	116.9300	0.317	2	116.9300	0.100	2	117.0623	0.103	3	114.5506	3.567	36	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:2:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Co)(O[5]C[5])(CHHO)	C(C[5]N[5]O[5])(OP)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Co)(O[5]C[5])(CHHO){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(OP)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Co<4>,2|C<4>}	114.5200	0.000	1	114.5200	0.000	1	115.1605	0.264	4	115.1605	0.264	4	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:2:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHO)	C(C[5]N[5]O[5])(OP)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHO){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(OP)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<4>,2|C<4>}	115.3245	0.480	2	115.3245	0.231	2	115.1605	0.264	4	115.1605	0.264	4	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:2:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHO)	C(C[5]N[5]O[5])(OP[6])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHO){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(OP[6])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<4>,2|C<4>}	115.4730	0.000	1	115.4730	0.000	1	115.1605	0.264	4	115.1605	0.264	4	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:2:4:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:O-2:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Pd)(O[5]C[5])(CCCO)	C(C[5]N[5]O[5])(OP[6])(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Pd)(O[5]C[5])(CCCO){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(OP[6])(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<4>,2|C<4>}	115.2100	0.749	4	115.2167	0.374	6	115.2167	0.374	6	115.2167	0.374	6	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:2:4:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:O-2:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Pd)(O[5]C[5])(CCCO)	C(C[5]N[5]O[5])(OP[6])(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Pd)(O[5]C[5])(CCCO){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(OP[6])(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<7>,2|C<4>}	115.2300	0.431	2	115.2167	0.374	6	115.2167	0.374	6	115.2167	0.374	6	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]H)(O[5]C[5])(CCHH)	C(C[5]N[5]O[5])(CC[6a]O)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]H)(O[5]C[5])(CCHH){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(CC[6a]O)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|H<1>,2|C<4>}	121.0350	0.000	1	121.0350	0.000	1	121.0350	0.000	1	117.2563	3.808	7	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:O-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHO)	C(C[5]N[5]O[5])(ONiH)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHO){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(ONiH)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<6>,2|C<4>}	117.9575	0.176	2	117.9575	0.031	2	117.9575	0.031	2	117.2563	3.808	7	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:P-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Fe)(O[5]C[5])(CHHP)	C(C[5]N[5]O[5])(PC[6a]C)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Fe)(O[5]C[5])(CHHP){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(PC[6a]C)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Fe<4>,2|C<4>}	115.6925	0.146	2	115.6925	0.021	2	115.6925	0.021	2	117.2563	3.808	7	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5](N[5]C[5,5]Rh)(O[5]C[5,5])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5,5]Rh)(O[5]C[5,5])(CC[5a]HH){1|C<3>,1|C<4>,2|H<1>}	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]C){1|Rh<4>,2|C<3>,3|H<1>}	116.2295	0.732	2	116.2295	0.536	2	116.2295	0.536	2	117.2563	3.808	7	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:1:1:	5:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	Si[5]-5:C[5]-3:	C[5](N[5]C[5]N)(O[5]Si[5])(CC[6a]HH)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	O[5](Si[5]C[5]ClCC)(C[5]N[5]C)	C[5](N[5]C[5]N)(O[5]Si[5])(CC[6a]HH){1|Cl<1>,2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	O[5](Si[5]C[5]ClCC)(C[5]N[5]C){1|N<2>,2|H<1>}	121.4700	0.000	1	121.4700	0.000	1	121.4700	0.000	1	121.4700	0.000	1	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:3:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]2C)	C(C[5]N[5]O[5])3(CH3)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]2C){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])3(CH3)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Cu<3>,2|C<4>}	112.6894	0.588	5	112.6894	0.345	5	112.6894	0.345	5	112.6894	0.345	5	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:4:4:	3:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ru)(O[5]C[5,6a])(CC[5]CC)	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a]Ru)(O[5]C[5,6a])(CC[5]CC){2|C<3>}	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Ru<9>,1|H<1>,2|C<3>}	115.9155	0.697	2	115.9155	0.485	2	115.9155	0.485	2	115.9155	0.485	2	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:4:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Pd)(O[5]C[5])(CC3)	C(C[5]N[5]O[5])(CC[6a]P)(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Pd)(O[5]C[5])(CC3){1|C<4>,3|H<1>}	C(C[5]N[5]O[5])(CC[6a]P)(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<4>,1|C<4>,1|H<1>}	115.3440	0.000	1	115.3440	0.000	1	115.3440	0.000	1	114.2492	3.758	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:4:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CC[6a]HH)(CH3)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]CC){1|C<4>,3|H<1>}	C(C[5]N[5]O[5])2(CC[6a]HH)(CH3)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Cu<4>,1|C<4>,1|H<1>}	113.1778	0.767	4	113.1778	0.589	4	113.7383	2.258	28	114.2492	3.758	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:4:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]CC){1|C<3>,3|H<1>}	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Cu<4>,1|C<3>,1|H<1>}	114.2433	0.575	4	113.8516	0.652	8	113.7383	2.258	28	114.2492	3.758	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:4:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Cu)(O[5]C[5])(CC[5]CC){1|C<4>,3|H<1>}	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Cu<4>,1|C<4>,1|H<1>}	113.4600	0.884	4	113.8516	0.652	8	113.7383	2.258	28	114.2492	3.758	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:4:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Fe)(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CC[6a]HH)(CH3)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Fe)(O[5]C[5])(CC[5]CC){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])2(CC[6a]HH)(CH3)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Fe<4>,2|C<4>}	112.0495	0.497	2	112.0495	0.247	2	113.7383	2.258	28	114.2492	3.758	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:4:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC){1|C<3>,3|H<1>}	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<3>,1|C<3>,1|H<1>}	113.2925	0.105	2	113.1934	1.247	8	113.7383	2.258	28	114.2492	3.758	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:4:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC){1|C<3>,3|H<1>}	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<4>,1|C<3>,1|H<1>}	114.6560	0.052	2	113.1934	1.247	8	113.7383	2.258	28	114.2492	3.758	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:4:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC){1|C<4>,3|H<1>}	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<4>,1|C<4>,1|H<1>}	112.4125	0.812	4	113.1934	1.247	8	113.7383	2.258	28	114.2492	3.758	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:4:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5]C[6a]2C[5])(C[5]N[5]C)	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]CC){1|H<1>,3|C<3>}	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5]C[6a]2C[5])(C[5]N[5]C){1|Ni<4>,1|H<1>,5|C<3>}	113.2195	0.136	2	113.2195	0.019	2	113.7383	2.258	28	114.2492	3.758	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:4:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Pd)(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Pd)(O[5]C[5])(CC[5]CC){1|C<4>,3|H<1>}	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<4>,1|C<4>,1|H<1>}	114.7785	0.326	2	116.2657	3.374	4	113.7383	2.258	28	114.2492	3.758	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:4:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Pd)(O[5]C[5])(CC[5]CC)	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Pd)(O[5]C[5])(CC[5]CC){1|C<4>,3|H<1>}	C(C[5]N[5]O[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<5>,1|C<4>,1|H<1>}	117.7530	1.080	2	116.2657	3.374	4	113.7383	2.258	28	114.2492	3.758	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:4:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ti)(O[5]C[5])(CC[5]2C)	C(C[5]N[5]O[5])2(C[5]C[5]2Ti)(CH3)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ti)(O[5]C[5])(CC[5]2C){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])2(C[5]C[5]2Ti)(CH3)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ti<9>,2|C<4>}	118.4460	0.000	1	118.4460	0.000	1	118.4460	0.000	1	114.2492	3.758	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:4:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:O-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Fe)(O[5]C[5])(CCCO)	C(C[5]N[5]O[5])(OFe2)(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Fe)(O[5]C[5])(CCCO){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(OFe2)(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Fe<5>,2|C<4>}	119.2630	0.000	1	119.2630	0.000	1	117.2540	3.029	3	114.2492	3.758	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:3:4:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:O-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ni)(O[5]C[5])(CCCO)	C(C[5]N[5]O[5])(ONiH)(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ni)(O[5]C[5])(CCCO){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(ONiH)(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<6>,2|C<4>}	116.2495	0.064	2	116.2495	0.004	2	117.2540	3.029	3	114.2492	3.758	33	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	3:2:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:	C[5](N[5]C[5]Pt)(O[5]N[5])(CCHH)	C(C[5]N[5]O[5])(CH3)(H)2	O[5](C[5]N[5]C)(N[5]C[5])	C[5](N[5]C[5]Pt)(O[5]N[5])(CCHH){1|C<3>}	C(C[5]N[5]O[5])(CH3)(H)2	O[5](C[5]N[5]C)(N[5]C[5]){1|Pt<4>,1|C<3>}	117.4635	1.998	2	116.5433	4.535	3	116.5433	4.535	3	116.5433	4.535	3	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	3:2:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:	C[5](N[5]C[5]Pt)(O[5]N[5])(CCHH)	C(C[5]N[5]O[5])(CH3)(H)2	O[5](C[5]N[5]C)(N[5]C[5])	C[5](N[5]C[5]Pt)(O[5]N[5])(CCHH){1|C<3>}	C(C[5]N[5]O[5])(CH3)(H)2	O[5](C[5]N[5]C)(N[5]C[5]){1|Pt<6>,1|C<3>}	114.7030	0.000	1	116.5433	4.535	3	116.5433	4.535	3	116.5433	4.535	3	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:B-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]O[5]C)(O[5]C[5])(CBHH)	C(C[5]C[5]O[5])(BC[6a]3)(H)2	O[5](C[5]C[6a]O[5])(C[5]C[5]C)	C[5](C[5]O[5]C)(O[5]C[5])(CBHH){1|C<3>}	C(C[5]C[5]O[5])(BC[6a]3)(H)2	O[5](C[5]C[6a]O[5])(C[5]C[5]C){1|C<4>,2|C<3>}	117.6100	0.000	1	117.6100	0.000	1	117.6100	0.000	1	116.4321	1.574	15	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]C[5]H)(O[5]N[5])(CCHH)	C(C[5]C[5]O[5])(CCHH)(H)2	O[5](N[5]C[5]Ir)(C[5]C[5]C)	C[5](C[5]C[5]H)(O[5]N[5])(CCHH){1|Ir<6>,1|C<3>}	C(C[5]C[5]O[5])(CCHH)(H)2	O[5](N[5]C[5]Ir)(C[5]C[5]C){1|C<3>,1|H<1>}	115.2480	0.694	2	115.2480	0.482	2	115.2480	0.482	2	116.4321	1.574	15	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(O[5]N[5])(CCHH)	C(C[5]N[5]O[5])(CH3)(H)2	O[5](C[5]N[5]C)(N[5]C[5]C)	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(O[5]N[5])(CCHH){1|B<5>,1|C<3>,1|C<4>,1|H<1>,4|B<6>}	C(C[5]N[5]O[5])(CH3)(H)2	O[5](C[5]N[5]C)(N[5]C[5]C){1|B<6>,1|C<3>,1|H<1>}	116.4160	0.000	1	116.4160	0.000	1	116.4160	0.000	1	116.4321	1.574	15	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	N[5,5]-3:C[5]-3:	C[5](N[5]C[5,5]Pd)(O[5]N[5,5])(CCHH)	C(C[5]N[5]O[5])(CH3)(H)2	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]C)	C[5](N[5]C[5,5]Pd)(O[5]N[5,5])(CCHH){1|H<1>,2|C<4>}	C(C[5]N[5]O[5])(CH3)(H)2	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]C){1|Pd<4>,1|H<1>,4|C<4>}	115.6190	0.000	1	115.6190	0.000	1	116.1153	0.642	6	116.4321	1.574	15	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	N[5,5]-3:C[5]-3:	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CCHH)	C(C[5]N[5]O[5])(CH3)(H)2	O[5](N[5,5]C[5,5,6]C[5,5])(C[5]N[5]C)	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CCHH){1|O<2>,2|C<4>}	C(C[5]N[5]O[5])(CH3)(H)2	O[5](N[5,5]C[5,5,6]C[5,5])(C[5]N[5]C){1|Pt<4>,1|H<1>,1|O<2>,3|C<4>}	116.9930	0.595	2	116.9930	0.354	2	116.1153	0.642	6	116.4321	1.574	15	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	N[5,5]-3:C[5]-3:	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CCHH)	C(C[5]N[5]O[5])(CH3)(H)2	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]C)	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CCHH){1|C<4>,1|H<1>,1|N<3>}	C(C[5]N[5]O[5])(CH3)(H)2	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]C){1|Pt<4>,1|H<1>,1|N<3>,3|C<4>}	115.9250	0.472	2	115.6957	0.269	3	116.1153	0.642	6	116.4321	1.574	15	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	N[5,5]-3:C[5]-3:	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CCHH)	C(C[5]N[5]O[5])(CH3)(H)2	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]C)	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CCHH){1|O<2>,2|C<4>}	C(C[5]N[5]O[5])(CH3)(H)2	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]C){1|Pt<4>,1|O<2>,4|C<4>}	115.2370	0.000	1	115.6957	0.269	3	116.1153	0.642	6	116.4321	1.574	15	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]C[5]Pd)(O[5]N[5])(CCHH)	C(C[5]N[5]O[5])(CH3)(H)2	O[5](N[5]C[6a]C[5])(C[5]N[5]C)	C[5](N[5]C[5]Pd)(O[5]N[5])(CCHH){3|C<3>}	C(C[5]N[5]O[5])(CH3)(H)2	O[5](N[5]C[6a]C[5])(C[5]N[5]C){1|Pd<4>,4|C<3>}	115.2790	0.000	1	115.2790	0.000	1	115.5515	0.149	2	116.4321	1.574	15	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]C[5]Pt)(O[5]N[5])(CCHH)	C(C[5]N[5]O[5])(CH3)(H)2	O[5](N[5]C[6a]C[5])(C[5]N[5]C)	C[5](N[5]C[5]Pt)(O[5]N[5])(CCHH){3|C<3>}	C(C[5]N[5]O[5])(CH3)(H)2	O[5](N[5]C[6a]C[5])(C[5]N[5]C){1|Pt<4>,4|C<3>}	115.8240	0.000	1	115.8240	0.000	1	115.5515	0.149	2	116.4321	1.574	15	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:N-4:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Zn)(O[5]C[5,6a])(CHHN)	C(C[5]N[5]O[5])(NC[6]ZnC)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a]Zn)(O[5]C[5,6a])(CHHN){2|C<3>}	C(C[5]N[5]O[5])(NC[6]ZnC)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Zn<4>,1|H<1>,2|C<3>}	117.9530	0.000	1	117.9530	0.000	1	118.0550	1.976	3	116.4321	1.574	15	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	3:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:N-4:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Zn)(O[5]C[5,6a])(CHHN)	C(C[5]N[5]O[5])(NZnCC)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a]Zn)(O[5]C[5,6a])(CHHN){2|C<3>}	C(C[5]N[5]O[5])(NZnCC)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Zn<4>,1|H<1>,2|C<3>}	118.1060	1.984	2	118.1060	3.937	2	118.0550	1.976	3	116.4321	1.574	15	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5](C[5]C[5,5]C)(O[5]C[5,5])(CCHH)	C(C[5]C[5]O[5])(CCHH)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(CCHH){2|C<4>,2|H<1>}	C(C[5]C[5]O[5])(CCHH)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	114.7050	0.000	1	114.7050	0.000	1	114.7050	0.000	1	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCHH)	C(C[5]C[5]O[5])(CCCO)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCHH){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5])(CCCO)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	113.0800	0.000	1	113.0800	0.000	1	113.0800	0.000	1	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]Ge[5])(CCHH)	C(C[5]C[5]O[5])(CH3)(H)2	O[5](Ge[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]H)(O[5]Ge[5])(CCHH){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5])(CH3)(H)2	O[5](Ge[5]C[5]CO)(C[5]C[5]C){3|H<1>}	112.4250	0.000	1	112.4250	0.000	1	112.4250	0.000	1	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Cd)(O[5]C[5])(CCHH)	C(C[5]N[5]O[5])(CH3)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Cd)(O[5]C[5])(CCHH){4|H<1>}	C(C[5]N[5]O[5])(CH3)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Cd<5>,2|H<1>}	115.4520	0.000	1	115.4520	0.000	1	115.8510	1.753	4	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Cu)(O[5]C[5])(CCHH)	C(C[5]N[5]O[5])(CC[5]HH)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Cu)(O[5]C[5])(CCHH){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(CC[5]HH)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Cu<4>,2|C<4>}	115.5105	1.924	2	115.5105	3.702	2	115.8510	1.753	4	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Pt)(O[5]C[5])(CCHH)	C(C[5]N[5]O[5])(CH3)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Pt)(O[5]C[5])(CCHH){4|H<1>}	C(C[5]N[5]O[5])(CH3)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pt<4>,2|H<1>}	116.9310	0.000	1	116.9310	0.000	1	115.8510	1.753	4	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:N-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5](N[5]C[5,5]Zn)(O[5]C[5,5])(CHHN)	C(C[5]N[5]O[5])(NZnCC)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5,5]Zn)(O[5]C[5,5])(CHHN){1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5])(NZnCC)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]C){1|Zn<4>,2|C<3>,3|H<1>}	116.7520	0.003	2	116.7520	0.000	2	116.7520	0.000	2	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHN)	C(C[5]N[5]O[5])(NNiCC)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHN){1|C<4>,3|H<1>}	C(C[5]N[5]O[5])(NNiCC)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<5>,1|C<4>,1|H<1>}	117.8233	0.661	3	116.4620	1.359	15	116.6092	1.398	17	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHN)	C(C[5]N[5]O[5])(NNiCC)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHN){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(NNiCC)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<5>,2|C<4>}	116.4153	1.201	3	116.4620	1.359	15	116.6092	1.398	17	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHN)	C(C[5]N[5]O[5])(NNiCC)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHN){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(NNiCC)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<6>,2|C<4>}	116.2755	0.885	6	116.4620	1.359	15	116.6092	1.398	17	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHN)	C(C[5]N[5]O[5])(NNiCC)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHN){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(NNiCC)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<7>,2|C<4>}	115.5203	1.208	3	116.4620	1.359	15	116.6092	1.398	17	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Zn)(O[5]C[5])(CHHN)	C(C[5]N[5]O[5])(NZnCC)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Zn)(O[5]C[5])(CHHN){1|C<3>,3|H<1>}	C(C[5]N[5]O[5])(NZnCC)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Zn<4>,1|C<3>,1|H<1>}	117.1750	0.000	1	117.1750	0.000	1	116.6092	1.398	17	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Zn)(O[5]C[5])(CHHN)	C(C[5]N[5]O[5])(NZnCC)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]Zn)(O[5]C[5])(CHHN){2|C<3>,2|H<1>}	C(C[5]N[5]O[5])(NZnCC)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]C){1|Zn<4>,1|H<1>,3|C<3>}	118.2510	0.000	1	118.2510	0.000	1	116.6092	1.398	17	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP)	C(C[5]N[5]O[5])(PC[6a]2Co)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(PC[6a]2Co)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Co<4>,2|C<4>}	115.5050	0.000	1	115.9790	0.449	2	117.3917	1.679	33	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP)	C(C[5]N[5]O[5])(PC[6a]2Co)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP){4|H<1>}	C(C[5]N[5]O[5])(PC[6a]2Co)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Co<4>,2|H<1>}	116.4530	0.000	1	115.9790	0.449	2	117.3917	1.679	33	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP)	C(C[5]N[5]O[5])(PC[6a]2Fe)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP){4|H<1>}	C(C[5]N[5]O[5])(PC[6a]2Fe)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Co<4>,2|H<1>}	116.0955	0.279	2	116.0955	0.078	2	117.3917	1.679	33	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP)	C(C[5]N[5]O[5])(PC[6a]2O)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(PC[6a]2O)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Co<4>,2|C<4>}	115.3860	0.000	1	115.3860	0.000	1	117.3917	1.679	33	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP)	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP){4|H<1>}	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Co<4>,2|H<1>}	115.6880	0.000	1	115.6880	0.000	1	117.3917	1.679	33	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP)	C(C[5]N[5]O[5])(PCoCC)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Co)(O[5]C[5])(CHHP){4|H<1>}	C(C[5]N[5]O[5])(PCoCC)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Co<4>,2|H<1>}	115.7300	0.000	1	115.7300	0.000	1	117.3917	1.679	33	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Fe)(O[5]C[5])(CHHP)	C(C[5]N[5]O[5])(PC[6a]FeC)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Fe)(O[5]C[5])(CHHP){4|H<1>}	C(C[5]N[5]O[5])(PC[6a]FeC)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Fe<6>,2|H<1>}	118.0630	0.892	2	118.0630	0.796	2	117.3917	1.679	33	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ir)(O[5]C[5])(CHHP)	C(C[5]N[5]O[5])(PIrCC)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ir)(O[5]C[5])(CHHP){1|C<3>,3|H<1>}	C(C[5]N[5]O[5])(PIrCC)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ir<6>,1|C<3>,1|H<1>}	117.7530	0.000	1	117.7530	0.000	1	117.3917	1.679	33	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHP)	C(C[5]N[5]O[5])(PC[6a]2Ni)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHP){4|H<1>}	C(C[5]N[5]O[5])(PC[6a]2Ni)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<6>,2|H<1>}	118.0720	0.000	1	118.0720	0.000	1	117.3917	1.679	33	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHP)	C(C[5]N[5]O[5])(PC[6a]2O)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ni)(O[5]C[5])(CHHP){4|H<1>}	C(C[5]N[5]O[5])(PC[6a]2O)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<6>,2|H<1>}	116.5460	0.000	1	116.5460	0.000	1	117.3917	1.679	33	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHP)	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHP){1|C<3>,3|H<1>}	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<4>,1|C<3>,1|H<1>}	118.4060	0.646	2	118.0845	1.208	12	117.3917	1.679	33	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHP)	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHP){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<4>,2|C<4>}	117.4185	1.093	6	118.0845	1.208	12	117.3917	1.679	33	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHP)	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Pd)(O[5]C[5])(CHHP){4|H<1>}	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<4>,2|H<1>}	118.9227	0.637	4	118.0845	1.208	12	117.3917	1.679	33	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Pt)(O[5]C[5])(CHHP)	C(C[5]N[5]O[5])(PC[6a]2Pt)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Pt)(O[5]C[5])(CHHP){4|H<1>}	C(C[5]N[5]O[5])(PC[6a]2Pt)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pt<4>,2|H<1>}	118.3850	1.262	4	118.3850	1.591	4	117.3917	1.679	33	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ru)(O[5]C[5])(CHHP)	C(C[5]N[5]O[5])(PC[6a]2Ru)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ru)(O[5]C[5])(CHHP){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(PC[6a]2Ru)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ru<6>,2|C<4>}	117.6165	0.103	2	117.1450	0.311	4	117.3917	1.679	33	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ru)(O[5]C[5])(CHHP)	C(C[5]N[5]O[5])(PC[6a]2Ru)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ru)(O[5]C[5])(CHHP){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(PC[6a]2Ru)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ru<7>,2|C<4>}	116.6735	0.183	2	117.1450	0.311	4	117.3917	1.679	33	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Zn)(O[5]C[5])(CHHP)	C(C[5]N[5]O[5])(PC[6a]2C)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Zn)(O[5]C[5])(CHHP){4|H<1>}	C(C[5]N[5]O[5])(PC[6a]2C)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Zn<4>,2|H<1>}	115.3420	0.000	1	115.3420	0.000	1	117.3917	1.679	33	116.8373	2.317	59	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:2:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ir)(O[5]C[5])(CCHO)	C(C[5]N[5]O[5])(CC3)(OP)(H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ir)(O[5]C[5])(CCHO){1|C<4>,3|H<1>}	C(C[5]N[5]O[5])(CC3)(OP)(H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ir<6>,1|C<4>,1|H<1>}	119.8790	0.000	1	119.8790	0.000	1	119.8790	0.000	1	119.8790	0.000	1	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:3:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:N-3:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ir)(O[5]C[5])(CCHN)	C(C[5]N[5]O[5])(CCCH)(NHP)(H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ir)(O[5]C[5])(CCHN){1|C<4>,3|H<1>}	C(C[5]N[5]O[5])(CCCH)(NHP)(H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ir<6>,1|C<4>,1|H<1>}	118.1460	0.000	1	118.1460	0.000	1	118.1460	0.000	1	118.1460	0.000	1	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:4:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CCCH)	C(C[5]C[5]O[5])(CH3)2(H)	O[5](C[5]C[6a]2C[5])(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]O[5])(CH3)2(H)	O[5](C[5]C[6a]2C[5])(C[5]C[5]C){1|C<4>,1|H<1>,5|C<3>}	113.4450	0.000	1	113.4450	0.000	1	113.9760	0.564	2	115.5283	7.511	3	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:4:1:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)	C(C[5]C[5]O[5])(CCHH)(CH3)(H)	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CCCH){1|O<1>,2|C<4>}	C(C[5]C[5]O[5])(CCHH)(CH3)(H)	O[5](C[5]C[5]CC)(C[5]C[5]C){1|H<1>,1|O<1>}	114.5070	0.000	1	114.5070	0.000	1	113.9760	0.564	2	115.5283	7.511	3	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:4:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:N-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ru)(O[5]C[5])(CCHN)	C(C[5]N[5]O[5])(NRuHH)(CCCH)(H)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]Ru)(O[5]C[5])(CCHN){1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5])(NRuHH)(CCCH)(H)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]C){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	118.6330	0.000	1	118.6330	0.000	1	118.6330	0.000	1	115.5283	7.511	3	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:4:2:	4:3:	C[5,5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:O-2:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(O[5]C[5])(CCCO)	C(C[5]C[5,5]O[5])(CH3)2(OH)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]C)	C[5](C[5,5]C[5,6a]C[5,5])(O[5]C[5])(CCCO){2|C<4>,3|C<3>}	C(C[5]C[5,5]O[5])(CH3)2(OH)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]C){2|C<3>}	114.3720	0.000	1	114.3720	0.000	1	114.3720	0.000	1	114.3349	3.791	9	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:4:2:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:O-2:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Co)(O[5]C[5])(CCCO)	C(C[5]N[5]O[5])(CH3)2(OP)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Co)(O[5]C[5])(CCCO){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(CH3)2(OP)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Co<4>,2|C<4>}	114.4680	0.000	1	114.4680	0.000	1	114.3303	4.332	8	114.3349	3.791	9	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:4:2:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:O-2:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ni)(O[5]C[5])(CCCO)	C(C[5]N[5]O[5])(CH3)2(OP)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ni)(O[5]C[5])(CCCO){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(CH3)2(OP)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<4>,2|C<4>}	115.6160	0.000	1	112.7753	6.052	3	114.3303	4.332	8	114.3349	3.791	9	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:4:2:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:O-2:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ni)(O[5]C[5])(CCCO)	C(C[5]N[5]O[5])(CH3)2(OP)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ni)(O[5]C[5])(CCCO){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(CH3)2(OP)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<5>,2|C<4>}	111.3550	0.004	2	112.7753	6.052	3	114.3303	4.332	8	114.3349	3.791	9	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:4:2:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:O-2:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Pd)(O[5]C[5])(CCCO)	C(C[5]N[5]O[5])(CH3)2(OP)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Pd)(O[5]C[5])(CCCO){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(CH3)2(OP)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<4>,2|C<4>}	116.1203	0.559	3	115.4620	1.942	4	114.3303	4.332	8	114.3349	3.791	9	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:4:2:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:O-2:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Pd)(O[5]C[5])(CCCO)	C(C[5]N[5]O[5])(CH3)2(OP)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Pd)(O[5]C[5])(CCCO){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(CH3)2(OP)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<5>,2|C<4>}	113.4870	0.000	1	115.4620	1.942	4	114.3303	4.332	8	114.3349	3.791	9	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	N[5,6]-3:C[5]-3:	C[5](C[5]C[5,6]H)(O[5]N[5,6])(CC3)	C(C[5]C[5]O[5])(CH3)3	O[5](N[5,6]C[5,6]2)(C[5]C[5]C)	C[5](C[5]C[5,6]H)(O[5]N[5,6])(CC3){1|C<4>,1|N<2>}	C(C[5]C[5]O[5])(CH3)3	O[5](N[5,6]C[5,6]2)(C[5]C[5]C){1|N<2>,2|C<4>,2|H<1>}	113.6400	0.000	1	113.6400	0.000	1	113.6400	0.000	1	113.6400	0.000	1	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:4:4:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,6]-4:C[5]-3:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CC3)	C(C[5]C[5]O[5])(CH3)3	O[5](C[5,6]C[5,6]C[6]N)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CC3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5]C[5]O[5])(CH3)3	O[5](C[5,6]C[5,6]C[6]N)(C[5]C[5]C){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	113.4280	0.000	1	113.4280	0.000	1	113.4280	0.000	1	118.2905	16.356	13	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:4:4:	4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	P[5,5]-4:C[5]-3:	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3)	C(C[5]C[5]O[5])(CH3)3	O[5](P[5,5]N[5,5]O[5]N)(C[5]C[5]C)	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3){1|C<3>,1|N<2>,1|O<2>}	C(C[5]C[5]O[5])(CH3)3	O[5](P[5,5]N[5,5]O[5]N)(C[5]C[5]C){1|H<1>,2|C<3>}	113.8300	0.311	2	113.8300	0.097	2	113.8300	0.097	2	118.2905	16.356	13	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:4:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ir)(O[5]C[5])(CC3)	C(C[5]N[5]O[5])(CH3)3	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ir)(O[5]C[5])(CC3){1|C<3>,3|H<1>}	C(C[5]N[5]O[5])(CH3)3	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ir<6>,1|C<3>,1|H<1>}	113.0240	0.000	1	113.0240	0.000	1	119.6688	12.638	10	118.2905	16.356	13	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:4:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Pd)(O[5]C[5])(CC3)	C(C[5]N[5]O[5])(CPdHH)(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Pd)(O[5]C[5])(CC3){1|C<3>,3|H<1>}	C(C[5]N[5]O[5])(CPdHH)(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<4>,1|C<3>,1|H<1>}	121.3158	0.865	8	121.3158	0.748	8	119.6688	12.638	10	118.2905	16.356	13	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:4:4:	4:3:	N[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Rh)(O[5]C[5])(CC3)	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Rh)(O[5]C[5])(CC3){1|C<4>,3|H<1>}	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Rh<6>,1|C<4>,1|H<1>}	113.1380	0.000	1	113.1380	0.000	1	119.6688	12.638	10	118.2905	16.356	13	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:4:4:	5:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	P[4,5,5]-5:C[5]-3:	C[5](C[5]N[4,5,5]H)(O[5]P[4,5,5])(CC3)	C(C[5]C[5]O[5])(CH3)3	O[5](P[4,5,5]N[4,5,5]N[4]O[5]O)(C[5]C[5]C)	C[5](C[5]N[4,5,5]H)(O[5]P[4,5,5])(CC3){1|B<4>,1|C<3>,1|N<3>,2|O<2>}	C(C[5]C[5]O[5])(CH3)3	O[5](P[4,5,5]N[4,5,5]N[4]O[5]O)(C[5]C[5]C){1|B<4>,1|H<1>,3|C<3>}	113.3005	0.180	2	113.3005	0.033	2	113.3005	0.033	2	115.3518	2.564	6	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:4:4:	5:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	P[5,5]-5:C[5]-3:	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3)	C(C[5]C[5]O[5])(CH3)3	O[5](P[5,5]N[5,5]O[5]HH)(C[5]C[5]C)	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5])(CH3)3	O[5](P[5,5]N[5,5]O[5]HH)(C[5]C[5]C){1|H<1>,2|C<3>}	116.4510	0.378	2	116.4510	0.143	2	116.3775	0.055	4	115.3518	2.564	6	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	3:4:4:4:	5:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	P[5,5]-5:C[5]-3:	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3)	C(C[5]C[5]O[5])(CH3)3	O[5](P[5,5]N[5,5]O[5]HN)(C[5]C[5]C)	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C(C[5]C[5]O[5])(CH3)3	O[5](P[5,5]N[5,5]O[5]HN)(C[5]C[5]C){1|H<1>,2|C<3>}	116.3040	0.010	2	116.3040	0.000	2	116.3775	0.055	4	115.3518	2.564	6	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	4:3:1:1:	4:3:	N[5]-3:O[5]-2:C-4:	C[6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Re)(O[5]C[5])(CC[6]HH)	C(C[6]C[6]N[6]H)(C[5]N[5]O[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Re)(O[5]C[5])(CC[6]HH){4|H<1>}	C(C[6]C[6]N[6]H)(C[5]N[5]O[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Re<6>,2|H<1>}	113.6930	0.256	2	113.6930	0.066	2	113.6930	0.066	2	113.6930	0.066	2	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:2:4:	4:3:3:1:	3:3:	C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)	C(C[5]C[5]O[5]H)(C[5]C[5]O[5])(CCC)(H)	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH){1|O<1>,2|C<4>}	C(C[5]C[5]O[5]H)(C[5]C[5]O[5])(CCC)(H)	O[5](C[5]C[5]C)(C[5]C[5]O){1|H<1>,2|C<4>}	112.6220	0.000	1	112.6220	0.000	1	112.6220	0.000	1	112.6220	0.000	1	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:C-4:O[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]N[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]C)(N[5]C[5]C){1|H<1>,2|C<3>}	113.1580	1.696	2	113.1580	2.875	2	113.1580	2.875	2	113.1580	2.875	2	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:4:2:	3:3:1:1:	4:3:	N[5]-3:C-4:O[5]-2:	C[5a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ni)(CC[5a]HH)(O[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ni)(CC[5a]HH)(O[5]C[5]){1|C<4>,3|H<1>}	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<4>,1|C<4>,1|H<1>}	117.6850	0.608	2	117.6850	0.370	2	116.1737	2.352	6	116.3290	2.129	7	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:4:2:	3:3:1:1:	4:3:	N[5]-3:C-4:O[5]-2:	C[5a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Rh)(CC[5a]HH)(O[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Rh)(CC[5a]HH)(O[5]C[5]){1|C<4>,3|H<1>}	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Rh<4>,1|C<4>,1|H<1>}	115.4180	1.230	4	115.4180	1.512	4	116.1737	2.352	6	116.3290	2.129	7	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:4:2:	3:3:1:1:	4:3:	N[5]-3:C-4:O[5]-2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Pd)(CN[5a]HH)(O[5]C[5])	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]O[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Pd)(CN[5a]HH)(O[5]C[5]){4|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[5]N[5]O[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<4>,2|H<1>}	117.2610	0.000	1	117.2610	0.000	1	117.2610	0.000	1	116.3290	2.129	7	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:4:2:	3:3:3:1:	3:3:	C[5]-3:C-4:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)2(H)	O[5](C[5]C[5]C)2	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5]){1|C<4>,4|C<3>}	C(C[5]C[5]O[5])(C[6a]C[6a]2)2(H)	O[5](C[5]C[5]C)2{1|C<4>,2|C<3>}	114.0600	0.000	1	114.0600	0.000	1	114.0600	0.000	1	114.0600	0.000	1	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:4:2:	3:3:3:1:	4:3:	N[5]-3:C-4:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Rh)(CC[6a]2H)(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(H)	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Rh)(CC[6a]2H)(O[5]C[5]){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(H)	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Rh<5>,2|C<4>}	118.8040	0.000	1	118.8040	0.000	1	118.8040	0.000	1	118.8040	0.000	1	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:4:2:	3:3:3:2:	4:3:	N[5]-3:C-4:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:O-2:	B[5]-4:C[5]-3:	C[5](N[5]C[6]O[5])(CC[6a]2O)(O[5]B[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(OH)	O[5](B[5]C[6a]2O[5])(C[5]N[5]C)	C[5](N[5]C[6]O[5])(CC[6a]2O)(O[5]B[5]){1|H<1>,2|C<3>,2|C<4>}	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(OH)	O[5](B[5]C[6a]2O[5])(C[5]N[5]C){1|C<4>,4|C<3>}	119.7680	0.000	1	119.7680	0.000	1	119.7680	0.000	1	119.7680	0.000	1	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:4:2:	3:3:4:1:	3:3:	C[5]-3:C-4:O[5]-2:	C[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(CC[6a]CH)(O[5]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	O[5](C[5]C[5]C)(C[5]N[5]S)	C[5](C[5]N[5]C)(CC[6a]CH)(O[5]C[5]){1|H<1>,1|S<1>}	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	O[5](C[5]C[5]C)(C[5]N[5]S){1|C<4>,1|H<1>}	115.5170	0.190	2	115.5170	0.036	2	115.5170	0.036	2	115.5170	0.036	2	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:4:2:	3:3:4:4:	4:3:	N[5]-3:C-4:O[5]-2:	C[5]-3:C[6a]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Fe)(CC[6a]CC)(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Fe)(CC[6a]CC)(O[5]C[5]){2|C<4>,2|H<1>}	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Fe<4>,2|C<4>}	116.0460	0.000	1	116.0460	0.000	1	115.5010	0.594	2	117.1063	1.443	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:4:2:	3:3:4:4:	4:3:	N[5]-3:C-4:O[5]-2:	C[5]-3:C[6a]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Pd)(CC[6a]CC)(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Pd)(CC[6a]CC)(O[5]C[5]){1|C<4>,3|H<1>}	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<4>,1|C<4>,1|H<1>}	114.9560	0.000	1	114.9560	0.000	1	115.5010	0.594	2	117.1063	1.443	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:4:2:	3:3:4:4:	4:3:	N[5]-3:C-4:O[5]-2:	C[5a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Cr)(CC[5a]CC)(O[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Cr)(CC[5a]CC)(O[5]C[5]){1|C<4>,3|H<1>}	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Cr<4>,1|C<4>,1|H<1>}	116.6303	1.116	4	116.6303	1.246	4	117.2133	1.333	30	117.1063	1.443	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:4:2:	3:3:4:4:	4:3:	N[5]-3:C-4:O[5]-2:	C[5a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ni)(CC[5a]CC)(O[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ni)(CC[5a]CC)(O[5]C[5]){1|C<3>,3|H<1>}	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<4>,1|C<3>,1|H<1>}	116.5743	0.987	6	117.3030	1.334	26	117.2133	1.333	30	117.1063	1.443	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	3:4:2:	3:3:4:4:	4:3:	N[5]-3:C-4:O[5]-2:	C[5a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]Ni)(CC[5a]CC)(O[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[5]Ni)(CC[5a]CC)(O[5]C[5]){1|C<4>,3|H<1>}	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<4>,1|C<4>,1|H<1>}	117.5216	1.132	20	117.3030	1.334	26	117.2133	1.333	30	117.1063	1.443	32	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	4:2:2:	3:3:1:1:	3:3:	C-4:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-3:	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]N[5]C)(C[5]N[5]S)	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5]){1|C<4>,1|S<1>}	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]N[5]C)(C[5]N[5]S){1|C<4>}	117.7590	0.000	1	118.4843	0.287	8	118.4843	0.287	8	118.5329	0.236	10	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	4:2:2:	3:3:1:1:	3:3:	C-4:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-3:	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]N[5]C)(C[5]N[5]S)	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5]){1|H<1>,1|S<1>}	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]N[5]C)(C[5]N[5]S){1|H<1>}	118.5879	0.484	7	118.4843	0.287	8	118.4843	0.287	8	118.5329	0.236	10	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	4:2:2:	3:3:1:1:	3:3:	C-4:N[5]-2:O[5]-2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:	C[5](CN[5a]HH)(N[5]N[5])(O[5]C[5])	C(N[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	O[5](C[5]N[5]C)(C[5]N[5]S)	C[5](CN[5a]HH)(N[5]N[5])(O[5]C[5]){1|H<1>,1|S<1>}	C(N[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	O[5](C[5]N[5]C)(C[5]N[5]S){1|H<1>}	118.7275	0.129	2	118.7275	0.017	2	118.7275	0.017	2	118.5329	0.236	10	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	4:2:2:	3:3:4:1:	3:3:	C-4:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:C[5]-3:	C[5](CC[6a]CH)(N[5]C[5])(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CHHO)(H)	O[5](C[5]C[5]O)(C[5]N[5]C)	C[5](CC[6a]CH)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<4>}	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CHHO)(H)	O[5](C[5]C[5]O)(C[5]N[5]C){2|C<4>}	114.2490	0.000	1	114.2490	0.000	1	114.2490	0.000	1	114.2490	0.000	1	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	4:2:2:	3:3:4:4:	4:3:	C-4:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C-4:C-4:	C[5]-4:C[5]-3:	C[5](CC[6a]CC)(N[5]C[5])(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]N[6a]2)(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](CC[6a]CC)(N[5]C[5])(O[5]C[5]){1|C<4>,3|H<1>}	C(C[5]N[5]O[5])(C[6a]N[6a]2)(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]C){1|C<4>,1|H<1>}	113.6795	0.306	2	113.6795	0.094	2	113.6795	0.094	2	113.6795	0.094	2	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	B[5]-3:C[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]C)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3){1|C<3>}	C(C[5]C[5]O[5])(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]C){1|Se<2>,1|C<3>,2|C<4>}	117.5580	0.000	1	117.5580	0.000	1	116.2645	3.346	2	115.9993	1.884	3	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	B[5]-3:C[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](B[5]O[5]C)(C[5]C[5]C)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3){1|C<4>}	C(C[5]C[5]O[5])(H)3	O[5](B[5]O[5]C)(C[5]C[5]C){2|C<4>}	114.9710	0.000	1	114.9710	0.000	1	116.2645	3.346	2	115.9993	1.884	3	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	4:2:4:	3:1:1:1:	3:3:	C[5]-4:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]RuH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]C)2	C[5](C[5]C[5]RuH)(O[5]C[5])(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]O[5])(H)3	O[5](C[5]C[5]C)2{1|Ru<5>,1|C<3>,1|H<1>}	115.4690	0.000	1	115.4690	0.000	1	115.4690	0.000	1	115.9993	1.884	3	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	4:2:4:	3:2:1:1:	3:3:	C[5]-4:O[5]-2:C-4:	C[5]-3:C-2:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)	C(C[5]C[5]O[5])(CN)(H)2	O[5](C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH){1|C<3>,1|H<1>}	C(C[5]C[5]O[5])(CN)(H)2	O[5](C[5]C[5]C)(C[5]C[5]H){1|C<3>,2|C<4>}	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	4:2:4:	3:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)	C(C[5]C[5]O[5])(OSi)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5])(OSi)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]C){2|C<3>,2|H<1>,2|O<2>}	109.6680	0.000	1	109.6680	0.000	1	109.6680	0.000	1	109.6680	0.000	1	115.8038	4.690	438	115.8038	4.690	438
818	490	976	0:SP2_SP2_SP3	C[5]	C	O[5]	4:3:2:	3:4:3:3:	4:3:	C-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](CC[6a]2C[5])(C[5]C[5]H)(O[5]C[5])	C(C[5]C[5]O[5])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	O[5](C[5]C[5]HH)(C[5]C[5]C)	C[5](CC[6a]2C[5])(C[5]C[5]H)(O[5]C[5]){4|H<1>}	C(C[5]C[5]O[5])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	O[5](C[5]C[5]HH)(C[5]C[5]C){3|H<1>}	114.2610	0.000	1	114.2610	0.000	1	114.2610	0.000	1	114.2610	0.000	1	115.8038	4.690	438	115.8038	4.690	438
818	490	987	0:SP2_SP-NON_SP3	C[5,6]	C	P[5,6]	3:2:4:	3:4:4:4:	4:3:	P[3x5,6]-3:P[5,6]-2:C-4:	C[5,6]-3:C-4:C-4:C-4:	C[3x5,6]-4:C[5,6]-3:	C[5,6](P[3x5,6]C[3,5,5,6]C[4x5])(P[5,6]C[3x5,6])(CC3)	C(C[5,6]P[3x5,6]P[5,6])(CH3)3	P[5,6](C[3x5,6]P[3,5,5,6]C[4x5]C)(C[5,6]P[3x5,6]C)	C[5,6](P[3x5,6]C[3,5,5,6]C[4x5])(P[5,6]C[3x5,6])(CC3){1|P<4>,2|P<3>,3|C<4>}	C(C[5,6]P[3x5,6]P[5,6])(CH3)3	P[5,6](C[3x5,6]P[3,5,5,6]C[4x5]C)(C[5,6]P[3x5,6]C){1|P<3>,1|P<4>,2|C<4>}	121.7240	0.000	1	121.7240	0.000	1	121.7240	0.000	1	121.2757	0.982	7	121.2757	0.982	7	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5,6]	C	P[5,6]	3:2:4:	3:4:4:4:	4:3:	P[5,5,6]-3:P[5,6]-2:C-4:	C[5,6]-3:C-4:C-4:C-4:	C[5,5,6]-4:C[5,6]-3:	C[5,6](P[5,5,6]Si[3x5]C[5,6])(P[5,6]C[5,5,6])(CC3)	C(C[5,6]P[5,5,6]P[5,6])(CH3)3	P[5,6](C[5,5,6]Si[3x5]P[5,6]C)(C[5,6]P[5,5,6]C)	C[5,6](P[5,5,6]Si[3x5]C[5,6])(P[5,6]C[5,5,6])(CC3){1|P<2>,2|C<4>,2|N<3>}	C(C[5,6]P[5,5,6]P[5,6])(CH3)3	P[5,6](C[5,5,6]Si[3x5]P[5,6]C)(C[5,6]P[5,5,6]C){1|C<3>,2|N<3>}	121.0763	0.847	4	121.0763	0.717	4	121.2010	1.132	6	121.2757	0.982	7	121.2757	0.982	7	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5,6]	C	P[5,6]	3:2:4:	3:4:4:4:	4:3:	P[5,5,6]-3:P[5,6]-2:C-4:	C[5,6]-3:C-4:C-4:C-4:	C[5,5,6]-4:C[5,6]-3:	C[5,6](P[5,5,6]Si[5,5]C[5,6])(P[5,6]C[5,5,6])(CC3)	C(C[5,6]P[5,5,6]P[5,6])(CH3)3	P[5,6](C[5,5,6]Si[5,5]P[5,6]C)(C[5,6]P[5,5,6]C)	C[5,6](P[5,5,6]Si[5,5]C[5,6])(P[5,6]C[5,5,6])(CC3){1|N<3>,1|P<2>,2|C<4>}	C(C[5,6]P[5,5,6]P[5,6])(CH3)3	P[5,6](C[5,5,6]Si[5,5]P[5,6]C)(C[5,6]P[5,5,6]C){1|C<3>,1|N<3>}	121.4505	1.822	2	121.4505	3.320	2	121.2010	1.132	6	121.2757	0.982	7	121.2757	0.982	7	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:P[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](N[5]N[5])(P[5]N[5])(CH3)	C(C[5]N[5]P[5])(H)3	P[5](C[5]N[5]C)(N[5]N[5]C)	C[5](N[5]N[5])(P[5]N[5])(CH3){1|C<4>}	C(C[5]N[5]P[5])(H)3	P[5](C[5]N[5]C)(N[5]N[5]C)	128.3450	0.000	1	128.3450	0.000	1	128.3450	0.000	1	128.0237	0.280	3	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	2:2:4:	3:1:1:1:	3:3:	N[5]-2:P[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](N[5]N[5])(P[5]N[5])(CH3)	C(C[5]N[5]P[5])(H)3	P[5](N[5]C[5]N[5])(C[5]N[5]C)	C[5](N[5]N[5])(P[5]N[5])(CH3){1|C<4>}	C(C[5]N[5]P[5])(H)3	P[5](N[5]C[5]N[5])(C[5]N[5]C){1|Fe<10>,2|C<4>}	127.8630	0.636	2	127.8630	0.405	2	127.8630	0.405	2	128.0237	0.280	3	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	2:2:4:	3:4:4:4:	3:3:	N[5]-2:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:	C[5](N[5]N[5])(P[5]N[5])(CC3)	C(C[5]N[5]P[5])(CH3)3	P[5](C[5]N[5]C)(N[5]N[5]C)	C[5](N[5]N[5])(P[5]N[5])(CC3){1|C<4>}	C(C[5]N[5]P[5])(CH3)3	P[5](C[5]N[5]C)(N[5]N[5]C)	127.8810	0.365	3	127.9515	0.109	4	127.9515	0.109	4	125.4532	13.478	13	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	2:2:4:	3:4:4:4:	3:3:	N[5]-2:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:	C[5](N[5]N[5])(P[5]N[5])(CC3)	C(C[5]N[5]P[5])(CH3)3	P[5](C[5]N[5]C)(N[5]N[5]C)	C[5](N[5]N[5])(P[5]N[5])(CC3){1|Re<6>,1|C<4>}	C(C[5]N[5]P[5])(CH3)3	P[5](C[5]N[5]C)(N[5]N[5]C){1|Re<6>}	128.1630	0.000	1	127.9515	0.109	4	127.9515	0.109	4	125.4532	13.478	13	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	2:2:4:	3:4:4:4:	3:3:	N[5]-2:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:	C[5](N[5]N[5])(P[5]N[5])(CC3)	C(C[5]N[5]P[5])(CH3)3	P[5](N[5]C[5]N[5])(C[5]N[5]C)	C[5](N[5]N[5])(P[5]N[5])(CC3){1|C<4>}	C(C[5]N[5]P[5])(CH3)3	P[5](N[5]C[5]N[5])(C[5]N[5]C){1|Fe<10>,2|C<4>}	128.7525	0.303	2	128.7525	0.092	2	128.7525	0.092	2	125.4532	13.478	13	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	2:2:4:	3:4:4:4:	3:3:	O[5]-2:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:	C[5](O[5]C[5,6a])(P[5]C[5,6a])(CC3)	C(C[5]O[5]P[5])(CH3)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)	C[5](O[5]C[5,6a])(P[5]C[5,6a])(CC3){2|C<3>}	C(C[5]O[5]P[5])(CH3)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C){1|H<1>,2|C<3>}	129.5980	0.000	1	129.5980	0.000	1	129.5980	0.000	1	125.4532	13.478	13	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	2:2:4:	3:4:4:4:	3:3:	P[5]-2:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:	C[5](P[5]C[5])(P[5]P[5])(CC3)	C(C[5]P[5]2)(CH3)3	P[5](C[5]P[5]C)2	C[5](P[5]C[5])(P[5]P[5])(CC3){1|C<3>,1|C<4>}	C(C[5]P[5]2)(CH3)3	P[5](C[5]P[5]C)2{1|C<3>}	120.0100	0.000	1	120.0100	0.000	1	122.6984	2.748	5	125.4532	13.478	13	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	2:2:4:	3:4:4:4:	3:3:	P[5]-2:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:	C[5](P[5]C[5])2(CC3)	C(C[5]P[5]2)(CH3)3	P[5](C[5]C[5]C)(C[5]P[5]C)	C[5](P[5]C[5])2(CC3){2|C<4>}	C(C[5]P[5]2)(CH3)3	P[5](C[5]C[5]C)(C[5]P[5]C){1|C<4>}	123.3705	0.807	4	123.3705	0.652	4	122.6984	2.748	5	125.4532	13.478	13	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	2:2:4:	3:4:4:4:	3:3:	P[5]-2:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:P[5]-3:	C[5](P[5]C[5])(P[5]P[5])(CC3)	C(C[5]P[5]2)(CH3)3	P[5](C[5]P[5]C)(P[5]C[5]C)	C[5](P[5]C[5])(P[5]P[5])(CC3){1|C<3>,1|C<4>}	C(C[5]P[5]2)(CH3)3	P[5](C[5]P[5]C)(P[5]C[5]C){1|C<4>}	118.4910	0.000	1	118.4910	0.000	1	118.4910	0.000	1	125.4532	13.478	13	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:P[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(P[5]C[5])(CH3)	C(C[5]C[5]P[5])(H)3	P[5](C[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(P[5]C[5])(CH3){1|C<4>,3|C<3>}	C(C[5]C[5]P[5])(H)3	P[5](C[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,3|C<3>}	125.3530	0.000	1	125.3530	0.000	1	125.3530	0.000	1	125.4020	0.358	5	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:P[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:	C[5](C[5]N[5]C)(P[5]N[5])(CH3)	C(C[5]C[5]P[5])(H)3	P[5](C[5]C[5]C)(N[5]N[5]H)	C[5](C[5]N[5]C)(P[5]N[5])(CH3){1|Ni<4>,1|H<1>}	C(C[5]C[5]P[5])(H)3	P[5](C[5]C[5]C)(N[5]N[5]H){1|Ni<4>,1|C<4>}	125.6650	0.088	2	125.6650	0.008	2	125.6650	0.008	2	125.4020	0.358	5	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:P[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:	C[5](C[5]N[5]C)(P[5]N[5])(CH3)	C(C[5]C[5]P[5])(H)3	P[5](N[5]N[5]Si)(C[5]C[5]C)	C[5](C[5]N[5]C)(P[5]N[5])(CH3){1|Co<4>,1|Si<4>}	C(C[5]C[5]P[5])(H)3	P[5](N[5]N[5]Si)(C[5]C[5]C){1|Co<4>,1|C<4>}	125.1635	1.081	2	125.1635	1.169	2	125.1635	1.169	2	125.4020	0.358	5	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	3:2:4:	3:1:1:1:	4:3:	P[5]-3:P[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	Ge[5]-4:C[5]-3:	C[5](P[5]C[5]W)(P[5]Ge[5])(CH3)	C(C[5]P[5]2)(H)3	P[5](Ge[5]C[5]CC)(C[5]P[5]C)	C[5](P[5]C[5]W)(P[5]Ge[5])(CH3){3|C<4>}	C(C[5]P[5]2)(H)3	P[5](Ge[5]C[5]CC)(C[5]P[5]C){1|C<4>,1|W<6>}	120.1530	0.000	1	120.1530	0.000	1	120.1530	0.000	1	120.1530	0.000	1	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:P[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]C)(P[5]C[5])(CCHH)	C(C[5]C[5]P[5])(CH3)(H)2	P[5](C[5]C[5]C)2	C[5](C[5]C[5]C)(P[5]C[5])(CCHH){2|C<4>}	C(C[5]C[5]P[5])(CH3)(H)2	P[5](C[5]C[5]C)2{2|C<4>}	123.3582	0.694	8	123.3582	0.482	8	123.3582	0.482	8	123.3582	0.482	8	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	3:2:4:	3:4:4:1:	3:3:	N[5]-3:P[5]-2:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:	C[5](N[5]N[5]Sb)(P[5]C[5])(CCCH)	C(C[5]N[5]P[5])(CH3)2(H)	P[5](C[5]N[5]C)2	C[5](N[5]N[5]Sb)(P[5]C[5])(CCCH){1|Sb<4>,1|C<4>}	C(C[5]N[5]P[5])(CH3)2(H)	P[5](C[5]N[5]C)2{2|Sb<4>}	127.6761	0.750	8	127.6761	0.562	8	127.6761	0.562	8	127.6761	0.562	8	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	3:2:4:	3:4:4:4:	3:3:	C[5]-3:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:	C[5](C[5]P[5]C)(P[5]C[5])(CC3)	C(C[5]C[5]P[5])(CH3)3	P[5](C[5]C[5]C)(C[5]P[5]C)	C[5](C[5]P[5]C)(P[5]C[5])(CC3){1|C<4>}	C(C[5]C[5]P[5])(CH3)3	P[5](C[5]C[5]C)(C[5]P[5]C){1|C<4>}	114.3783	1.440	4	114.3783	2.073	4	114.3783	2.073	4	123.9901	27.222	23	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	3:2:4:	3:4:4:4:	3:3:	N[5]-3:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:	C[5](N[5]N[5]Sb)(P[5]C[5])(CC3)	C(C[5]N[5]P[5])(CH3)3	P[5](C[5]N[5]C)2	C[5](N[5]N[5]Sb)(P[5]C[5])(CC3){1|Sb<4>,1|C<4>}	C(C[5]N[5]P[5])(CH3)3	P[5](C[5]N[5]C)2{2|Sb<4>}	125.4956	1.091	8	125.4956	1.190	8	126.6116	2.605	16	123.9901	27.222	23	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	3:2:4:	3:4:4:4:	3:3:	N[5]-3:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:	C[5](N[5]N[5]Sm)(P[5]C[5])(CC3)	C(C[5]N[5]P[5])(CH3)3	P[5](C[5]N[5]C)2	C[5](N[5]N[5]Sm)(P[5]C[5])(CC3){1|C<4>}	C(C[5]N[5]P[5])(CH3)3	P[5](C[5]N[5]C)2{1|Sm<8>}	127.7276	1.243	8	127.7276	1.546	8	126.6116	2.605	16	123.9901	27.222	23	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	3:2:4:	3:4:4:4:	3:3:	N[5]-3:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:	C[5](N[5]N[5]H)(P[5]N[5])(CC3)	C(C[5]N[5]P[5])(CH3)3	P[5](N[5]C[5]N[5])(C[5]N[5]C)	C[5](N[5]N[5]H)(P[5]N[5])(CC3){1|C<4>}	C(C[5]N[5]P[5])(CH3)3	P[5](N[5]C[5]N[5])(C[5]N[5]C){1|Fe<10>,1|H<1>,2|C<4>}	129.2360	0.000	1	129.2360	0.000	1	129.2360	0.000	1	123.9901	27.222	23	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	3:2:4:	3:4:4:4:	3:3:	P[3,5]-3:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:	C[5](P[3,5]P[3,5]N[3])(P[5]N[5])(CC3)	C(C[5]P[3,5]P[5])(CH3)3	P[5](N[5]P[3,5]C[6a])(C[5]P[3,5]C)	C[5](P[3,5]P[3,5]N[3])(P[5]N[5])(CC3){2|C<3>}	C(C[5]P[3,5]P[5])(CH3)3	P[5](N[5]P[3,5]C[6a])(C[5]P[3,5]C){1|N<3>,2|C<3>}	121.6610	0.000	1	121.6610	0.000	1	121.6610	0.000	1	123.9901	27.222	23	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	3:2:4:	3:4:4:4:	3:3:	P[5]-3:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:	C[5](P[5]P[5]C)(P[5]C[5])(CC3)	C(C[5]P[5]2)(CH3)3	P[5](C[5]P[5]C)2	C[5](P[5]P[5]C)(P[5]C[5])(CC3){1|C<4>}	C(C[5]P[5]2)(CH3)3	P[5](C[5]P[5]C)2{1|C<3>}	117.5770	0.000	1	117.5770	0.000	1	117.5770	0.000	1	123.9901	27.222	23	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	3:2:4:	3:4:4:4:	4:3:	P[3,5]-3:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,5]-4:C[5]-3:	C[5](P[3,5]P[3,5,5]C[3,5])(P[5]C[5,5])(CC3)	C(C[5]P[3,5]P[5])(CH3)3	P[5](C[5,5]P[3,5,5]P[4,5]C)(C[5]P[3,5]C)	C[5](P[3,5]P[3,5,5]C[3,5])(P[5]C[5,5])(CC3){2|C<4>,2|P<3>}	C(C[5]P[3,5]P[5])(CH3)3	P[5](C[5,5]P[3,5,5]P[4,5]C)(C[5]P[3,5]C){1|C<3>,1|C<4>,1|P<3>}	121.1435	0.136	2	121.1435	0.019	2	121.1435	0.019	2	121.6588	0.478	5	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	3:2:4:	3:4:4:4:	4:3:	P[3,5]-3:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3)	C(C[5]P[3,5]P[5])(CH3)3	P[5](C[5]P[3,5]CH)(C[5]P[3,5]C)	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3){2|C<4>,2|H<1>}	C(C[5]P[3,5]P[5])(CH3)3	P[5](C[5]P[3,5]CH)(C[5]P[3,5]C){1|C<4>}	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1	121.6588	0.478	5	124.7041	15.055	66	124.3753	14.706	73
818	490	987	0:SP2_SP-NON_SP3	C[5]	C	P[5]	3:2:4:	3:4:4:4:	4:3:	P[5,5,6,6]-3:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[4,5,6]-4:C[5]-3:	C[5](P[5,5,6,6]P[4,5,5,6,6]2)(P[5]C[4,5,6])(CC3)	C(C[5]P[5,5,6,6]P[5])(CH3)3	P[5](C[4,5,6]P[4,5,5,6,6]2C)(C[5]P[5,5,6,6]C)	C[5](P[5,5,6,6]P[4,5,5,6,6]2)(P[5]C[4,5,6])(CC3){2|P<3>,3|C<4>}	C(C[5]P[5,5,6,6]P[5])(CH3)3	P[5](C[4,5,6]P[4,5,5,6,6]2C)(C[5]P[5,5,6,6]C){1|C<4>,2|P<3>}	122.3910	0.317	2	122.3910	0.100	2	122.3910	0.100	2	121.6588	0.478	5	124.7041	15.055	66	124.3753	14.706	73
818	490	989	0:SP2_SP2_SP3	C[5]	C	Si[5]	3:3:4:	3:4:1:1:	3:3:4:	Si[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	Si[5]-3:C[5]-3:Si-4:	C[5](Si[5]Si[5]Si)(C[5]Si[5]C)(CCHH)	C(C[5]Si[5]C[5])(CH3)(H)2	Si[5](Si[5]Si[5]Si)(C[5]C[5]C)(SiC3)	C[5](Si[5]Si[5]Si)(C[5]Si[5]C)(CCHH){2|Si<4>,1|C<4>}	C(C[5]Si[5]C[5])(CH3)(H)2	Si[5](Si[5]Si[5]Si)(C[5]C[5]C)(SiC3){1|Si<4>,2|C<4>}	117.1770	0.000	1	117.1770	0.000	1	117.1770	0.000	1	117.1770	0.000	1	117.1770	0.000	1	117.1770	0.000	1
818	490	997	0:SP2_SP3_SP3	C[5]	C	Se[5]	3:2:4:	3:1:1:1:	3:3:	C[5,6a]-3:Se[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CH3)	C(C[5]C[5,6a]Se[5])(H)3	Se[5](C[5]C[5,6a]C)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CH3){1|C<4>,3|C<3>}	C(C[5]C[5,6a]Se[5])(H)3	Se[5](C[5]C[5,6a]C)2{2|C<3>}	116.7670	2.005	2	116.7670	4.021	2	116.7670	4.021	2	114.7600	1.902	109	116.2219	12.674	136	116.2219	12.674	136
818	490	997	0:SP2_SP3_SP3	C[5]	C	Se[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:Se[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(Se[5]C[5])(CH3)	C(C[5]Se[5]C[5])(H)3	Se[5](C[5]C[5]C)(C[5]N[5]N)	C[5](C[5]C[6a]N[5])(Se[5]C[5])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5]Se[5]C[5])(H)3	Se[5](C[5]C[5]C)(C[5]N[5]N){1|C<3>,1|C<4>}	118.9640	0.000	1	118.9640	0.000	1	114.7224	1.823	107	114.7600	1.902	109	116.2219	12.674	136	116.2219	12.674	136
818	490	997	0:SP2_SP3_SP3	C[5]	C	Se[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:Se[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]Se[5]C)(Se[5]C[5])(CH3)	C(C[5]Se[5]C[5])(H)3	Se[5](C[5]Se[5]C[5])(C[5]C[5]C)	C[5](C[5]Se[5]C)(Se[5]C[5])(CH3){1|C<3>}	C(C[5]Se[5]C[5])(H)3	Se[5](C[5]Se[5]C[5])(C[5]C[5]C){1|C<4>,2|S<2>}	114.4892	1.333	80	114.6824	1.667	106	114.7224	1.823	107	114.7600	1.902	109	116.2219	12.674	136	116.2219	12.674	136
818	490	997	0:SP2_SP3_SP3	C[5]	C	Se[5]	3:2:4:	3:1:1:1:	3:3:	C[5]-3:Se[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5]Se[5]C)(Se[5]C[5])(CH3)	C(C[5]Se[5]C[5])(H)3	Se[5](C[5]Se[5]C[5])(C[5]C[5]C)	C[5](C[5]Se[5]C)(Se[5]C[5])(CH3){1|C<3>}	C(C[5]Se[5]C[5])(H)3	Se[5](C[5]Se[5]C[5])(C[5]C[5]C){2|Se<2>,1|C<4>}	115.2768	0.950	26	114.6824	1.667	106	114.7224	1.823	107	114.7600	1.902	109	116.2219	12.674	136	116.2219	12.674	136
818	490	997	0:SP2_SP3_SP3	C[5]	C	Se[5]	3:2:4:	3:2:1:1:	4:3:	C[5]-3:Se[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(Se[5]C[5])(CHHO)	C(C[5]Se[5]C[5])(OH)(H)2	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]C)	C[5](C[5]C[5]H)(Se[5]C[5])(CHHO){1|N<3>,2|H<1>}	C(C[5]Se[5]C[5])(OH)(H)2	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]C){2|C<3>,2|H<1>}	113.8910	0.000	1	113.8910	0.000	1	113.8910	0.000	1	113.8910	0.000	1	116.2219	12.674	136	116.2219	12.674	136
818	490	997	0:SP2_SP3_SP3	C[5]	C	Se[5]	3:2:4:	3:3:2:1:	3:3:	C[5]-3:Se[5]-2:C-4:	C[5]-3:C[6a]-3:O-2:H-1:	C[5]-3:C[5]-3:	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]HO)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	Se[5](C[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]HO){1|C<3>,1|I<1>}	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	Se[5](C[5]C[6a]C[5])(C[5]C[5]C){1|H<1>,1|I<1>,2|C<3>}	119.5650	0.362	2	119.5650	0.131	2	119.5650	0.131	2	119.5650	0.131	2	116.2219	12.674	136	116.2219	12.674	136
818	490	997	0:SP2_SP3_SP3	C[5]	C	Se[5]	3:2:4:	3:3:4:1:	3:2:	C[5]-3:Se[5]-2:C-4:	C[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCCN)(H)	Se[5](C[5]C[5]C)(N[5]N[5])	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH){2|C<3>}	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCCN)(H)	Se[5](C[5]C[5]C)(N[5]N[5]){1|C<3>}	126.2422	0.704	4	126.2422	0.496	4	124.6780	2.161	10	124.6780	2.161	10	116.2219	12.674	136	116.2219	12.674	136
818	490	997	0:SP2_SP3_SP3	C[5]	C	Se[5]	3:2:4:	3:3:4:1:	3:2:	C[5]-3:Se[5]-2:C-4:	C[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCHN)(H)	Se[5](C[5]C[5]C)(N[5]N[5])	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH){2|C<3>}	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCHN)(H)	Se[5](C[5]C[5]C)(N[5]N[5]){1|C<3>}	124.0033	0.629	3	124.0033	0.396	3	124.6780	2.161	10	124.6780	2.161	10	116.2219	12.674	136	116.2219	12.674	136
818	490	997	0:SP2_SP3_SP3	C[5]	C	Se[5]	3:2:4:	3:3:4:1:	3:2:	C[5]-3:Se[5]-2:C-4:	C[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CC[6a]CH)(H)	Se[5](C[5]C[5]C)(N[5]N[5])	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH){2|C<3>}	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CC[6a]CH)(H)	Se[5](C[5]C[5]C)(N[5]N[5]){1|C<3>}	123.2670	0.143	3	123.2670	0.021	3	124.6780	2.161	10	124.6780	2.161	10	116.2219	12.674	136	116.2219	12.674	136
818	490	997	0:SP2_SP3_SP3	C[5]	C	Se[5]	3:2:4:	3:4:1:1:	3:2:	C[5]-3:Se[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:	C[5](C[5]C[3]N[5])(Se[5]N[5])(CCHH)	C(C[5]Se[5]C[5])(CCHH)(H)2	Se[5](C[5]C[5]C)(N[5]N[5])	C[5](C[5]C[3]N[5])(Se[5]N[5])(CCHH){1|H<1>,2|C<4>}	C(C[5]Se[5]C[5])(CCHH)(H)2	Se[5](C[5]C[5]C)(N[5]N[5]){1|C<4>}	123.4580	0.000	1	123.4580	0.000	1	123.8522	8.708	6	123.8522	8.708	6	116.2219	12.674	136	116.2219	12.674	136
818	490	997	0:SP2_SP3_SP3	C[5]	C	Se[5]	3:2:4:	3:4:1:1:	3:2:	C[5]-3:Se[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:	C[5](C[5]C[5]N[5])(Se[5]N[5])(CCHH)	C(C[5]Se[5]C[5])(CCHH)(H)2	Se[5](C[5]C[5]C)(N[5]N[5])	C[5](C[5]C[5]N[5])(Se[5]N[5])(CCHH){1|C<3>,1|N<2>}	C(C[5]Se[5]C[5])(CCHH)(H)2	Se[5](C[5]C[5]C)(N[5]N[5]){1|C<3>}	121.5355	4.908	2	121.5355	24.089	2	123.8522	8.708	6	123.8522	8.708	6	116.2219	12.674	136	116.2219	12.674	136
818	490	997	0:SP2_SP3_SP3	C[5]	C	Se[5]	3:2:4:	3:4:1:1:	3:2:	C[5]-3:Se[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:	C[5](C[5]N[5]C)(Se[5]N[5])(CCHH)	C(C[5]Se[5]C[5])(CCHH)(H)2	Se[5](C[5]C[5]C)(N[5]N[5])	C[5](C[5]N[5]C)(Se[5]N[5])(CCHH){1|C<4>}	C(C[5]Se[5]C[5])(CCHH)(H)2	Se[5](C[5]C[5]C)(N[5]N[5]){2|C<4>}	125.5280	0.263	3	125.5280	0.069	3	123.8522	8.708	6	123.8522	8.708	6	116.2219	12.674	136	116.2219	12.674	136
818	490	997	0:SP2_SP3_SP3	C[5]	C	Se[5]	3:2:4:	3:4:1:1:	3:3:	C[5,6a]-3:Se[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CCHH)	C(C[5]C[5,6a]Se[5])(CCHH)(H)2	Se[5](C[5]C[5,6a]C)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CCHH){1|C<4>,3|C<3>}	C(C[5]C[5,6a]Se[5])(CCHH)(H)2	Se[5](C[5]C[5,6a]C)2{2|C<3>}	117.3962	1.610	4	117.3962	2.592	4	117.3962	2.592	4	118.3518	3.848	6	116.2219	12.674	136	116.2219	12.674	136
818	490	997	0:SP2_SP3_SP3	C[5]	C	Se[5]	3:2:4:	3:4:1:1:	3:3:	C[5]-3:Se[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(CCHH)	C(C[5]Se[5]C[5])(CCHH)(H)2	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(CCHH){2|C<3>}	C(C[5]Se[5]C[5])(CCHH)(H)2	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){2|C<3>,2|H<1>}	120.2630	0.711	2	120.2630	0.506	2	120.2630	0.506	2	118.3518	3.848	6	116.2219	12.674	136	116.2219	12.674	136
818	490	997	0:SP2_SP3_SP3	C[5]	C	Se[5]	4:3:2:	3:3:3:1:	3:3:	C-4:C[5]-3:Se[5]-2:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(Se[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]2)(H)	Se[5](C[5]C[5]C)2	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(Se[5]C[5]){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]2)(H)	Se[5](C[5]C[5]C)2{2|H<1>}	122.1610	0.512	2	122.1610	0.262	2	122.1610	0.262	2	122.1610	0.262	2	116.2219	12.674	136	116.2219	12.674	136
818	490	999	0:SP2_SP3_SP3	C[5]	C	N[5]	4:3:4:	3:1:1:1:	3:2:1:1:	N[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5](N[5]O[5]HH)(C[5]C[5]N)(CH3)	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](N[5]O[5]HH)(C[5]C[5]N)(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|N<3>}	119.1100	0.000	1	119.1100	0.000	1	119.1100	0.000	1	119.1100	0.000	1	120.7025	5.072	2	120.7025	5.072	2
818	490	999	0:SP2_SP3_SP3	C[5]	C	N[5]	4:3:4:	3:4:4:2:	4:3:1:1:	N[5]-4:N[5]-3:C-4:	C[5]-3:C-4:C-4:S-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5](N[5]C[5]HH)(N[5]C[5]C)(CCCS)	C(C[5]N[5]2)(CH3)2(SS)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](N[5]C[5]HH)(N[5]C[5]C)(CCCS){4|H<1>}	C(C[5]N[5]2)(CH3)2(SS)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,2|H<1>}	122.2950	0.000	1	122.2950	0.000	1	122.2950	0.000	1	122.2950	0.000	1	120.7025	5.072	2	120.7025	5.072	2
818	510	542	0:SP2_SP2_SP2	C[5]	B	N[5]	3:3:2:	3:2:	3:4:3:	N[5]-3:N[5]-3:B-2:	C[5]-3:B-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(BB)	B(C[5]N[5]2)(BC[5])	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BB){4|C<3>,4|H<1>}	B(C[5]N[5]2)(BC[5])	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	126.6150	1.264	2	126.6150	1.598	2	126.6150	1.598	2	126.6150	1.598	2	127.5177	3.244	3	127.5177	3.244	3
818	510	542	0:SP2_SP2_SP2	C[5]	B	N[5]	3:4:2:	3:3:	3:4:3:	N[5]-3:C[5]-4:B-2:	C[5]-3:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BB)	B(C[5]C[5]N[5])(BC[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BB){2|C<3>,2|C<4>,2|H<1>}	B(C[5]C[5]N[5])(BC[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	129.3230	0.000	1	129.3230	0.000	1	129.3230	0.000	1	129.3230	0.000	1	127.5177	3.244	3	127.5177	3.244	3
818	538	542	0:SP2_SP2_SPD5	C[5]	Ge[5,5]	N[5]	5:3:3:	2:2:2:2:3:	3:3:3:	Ge[5,5]-5:N[5]-3:N[5]-3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](Ge[5,5]O[5]4)(N[5]C[5]C)2	Ge[5,5](O[5]C[5,6a])4(C[5]N[5]2)	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]H)(CC[6a]N)	C[5](Ge[5,5]O[5]4)(N[5]C[5]C)2{2|H<1>,4|C<3>}	Ge[5,5](O[5]C[5,6a])4(C[5]N[5]2){8|C<3>}	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]H)(CC[6a]N){1|C<3>,1|H<1>,4|O<2>}	127.0025	0.127	2	127.0025	0.016	2	127.0025	0.016	2	127.0025	0.016	2	126.6967	1.085	4	126.4937	4.700	6
818	538	542	0:SP2_SP2_SPD5	C[5]	Ge[5,5]	N[5]	5:3:3:	2:2:2:2:3:	3:3:4:	Ge[5,5]-5:N[5]-3:N[5]-3:	S[5]-2:S[5]-2:S[5]-2:S[5]-2:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](Ge[5,5]S[5]4)(N[5]C[5]C)2	Ge[5,5](S[5]C[5,5])4(C[5]N[5]2)	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]C)(CCCH)	C[5](Ge[5,5]S[5]4)(N[5]C[5]C)2{2|C<4>,4|C<3>}	Ge[5,5](S[5]C[5,5])4(C[5]N[5]2){2|C<3>,2|C<4>,4|N<3>}	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]C)(CCCH){2|C<4>,4|S<2>}	126.3910	1.693	2	126.3910	2.866	2	126.3910	2.866	2	126.3910	2.866	2	126.6967	1.085	4	126.4937	4.700	6
818	538	542	0:SP2_SP2_SPD5	C[5]	Ge[5]	N[5]	5:3:3:	2:2:3:1:1:	3:3:4:	Ge[5]-5:N[5]-3:N[5]-3:	O[5]-2:O[5]-2:C[5]-3:Cl-1:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5](Ge[5]O[5]2Cl2)(N[5]C[5]C)2	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH)	C[5](Ge[5]O[5]2Cl2)(N[5]C[5]C)2{2|C<3>,2|C<4>}	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2{2|C<4>,4|C<3>}	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH){2|Cl<1>,2|C<4>,2|O<2>}	126.0875	4.444	2	126.0875	19.751	2	126.0875	19.751	2	126.0875	19.751	2	126.0875	19.751	2	126.4937	4.700	6
818	538	818	5:SP2_SP2_SPD5	C[5]	Ge[5]	C[5]	5:3:3:	3:3:1:1:1:	4:3:3:	Ge[5]-5:C[5]-3:C-3:	N[5]-3:C[5]-3:Cl-1:Cl-1:Cl-1:	P[5]-4:C[5]-3:C-3:	C[5](Ge[5]N[5]Cl3)(C[5]P[5]C)(COO)	Ge[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3	C[5](P[5]C[6a]2N[5])(C[5]Ge[5]C)(COO)	C[5](Ge[5]N[5]Cl3)(C[5]P[5]C)(COO){3|C<3>}	Ge[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3{5|C<3>}	C[5](P[5]C[6a]2N[5])(C[5]Ge[5]C)(COO){3|Cl<1>,5|C<3>}	118.0560	0.000	1	118.0560	0.000	1	118.0560	0.000	1	118.0560	0.000	1	118.0560	0.000	1	118.0560	0.000	1
818	538	930	0:SP2_SP2_SPD5	C[5]	Ge[5]	C	5:3:3:	3:3:1:1:1:	3:2:1:	Ge[5]-5:C[5]-3:C-3:	N[5]-3:C[5]-3:Cl-1:Cl-1:Cl-1:	C[5]-3:O-2:O-1:	C[5](Ge[5]N[5]Cl3)(C[5]P[5]C)(COO)	Ge[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3	C(C[5]Ge[5]C[5])(OC)(O)	C[5](Ge[5]N[5]Cl3)(C[5]P[5]C)(COO){3|C<3>}	Ge[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3{5|C<3>}	C(C[5]Ge[5]C[5])(OC)(O)	120.1710	0.000	1	120.1710	0.000	1	120.1710	0.000	1	120.1710	0.000	1	120.1710	0.000	1	120.1710	0.000	1
818	542	542	0:SP2_SP2_SP2	C[5,5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	S[5,5]-3:N[5]-3:N[5]-3:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-3:C[5]-3:C-4:	C[5,5](S[5,5]N[5]2)(N[5]C[5]C)2	N[5](C[5,5]S[5,5]N[5])(C[5]N[5]Se)(CCHH)	N[5](C[5,5]S[5,5]N[5])(C[5]N[5]Se)(CCHH)	C[5,5](S[5,5]N[5]2)(N[5]C[5]C)2{2|Se<1>,2|C<3>}	N[5](C[5,5]S[5,5]N[5])(C[5]N[5]Se)(CCHH){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,5]S[5,5]N[5])(C[5]N[5]Se)(CCHH){1|C<4>,1|N<3>,2|C<3>}	125.2195	0.216	2	125.2195	0.047	2	125.2195	0.047	2	125.2195	0.047	2	129.8480	28.583	4	125.7971	12.142	32
818	542	542	0:SP2_SP2_SP2	C[5,5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	N[5,5]-3:N[5]-3:N[5]-3:	C[5,5]-3:C[5]-4:H-1:	C[5,5]-3:C[5]-4:H-1:	C[5,5](N[5,5]C[5]2)(N[5]C[5]H)2	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H)	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H)	C[5,5](N[5,5]C[5]2)(N[5]C[5]H)2{2|C<4>,6|H<1>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H){2|C<4>,3|H<1>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H){2|C<4>,3|H<1>}	134.4765	0.108	2	134.4765	0.012	2	134.4765	0.012	2	134.4765	0.012	2	129.8480	28.583	4	125.7971	12.142	32
818	542	542	0:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:3:4:	3:4:4:	N[5,6]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](N[5,6]C[5,6]C[5])(N[5,6]C[6,6]C[5])(N[5]C[5]C)	N[5,6](C[5,6]N[5,6]N[5])(C[5,6]N[6,6]N[5])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]2)(C[5]C[5]HH)(CH3)	C[5,6](N[5,6]C[5,6]C[5])(N[5,6]C[6,6]C[5])(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,7|H<1>}	N[5,6](C[5,6]N[5,6]N[5])(C[5,6]N[6,6]N[5])(C[5]C[5]HH){1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,6]N[5,6]2)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	129.3600	0.000	1	129.3600	0.000	1	129.3600	0.000	1	129.3600	0.000	1	129.3600	0.000	1	125.7971	12.142	32
818	542	542	0:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	4:4:3:	N[5]-3:N[5]-3:N[5]-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]2)(N[5]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]2)	N[5](C[5]C[5]HH)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]2)(N[5]C[5]){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]2){3|C<3>,5|C<4>}	N[5](C[5]C[5]HH)2(C[5]N[5]2){1|C<4>,2|C<3>,4|H<1>}	120.9530	0.008	2	120.9530	0.000	2	120.9530	0.000	2	120.9530	0.000	2	125.0650	7.610	27	125.7971	12.142	32
818	542	542	0:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:4:3:	3:4:1:	N[5]-3:N[5]-3:S[5]-2:	C[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](N[5]C[5]2)(N[5]C[5]H)(S[5]C[5])	N[5](C[5]N[5]S[5])(C[5]C[5]HH)(C[5]S[5]O)	N[5](C[5]N[5]S[5])(C[5]C[5]HH)(H)	C[5](N[5]C[5]2)(N[5]C[5]H)(S[5]C[5]){1|C<4>,1|O<1>,1|S<2>,6|H<1>}	N[5](C[5]N[5]S[5])(C[5]C[5]HH)(C[5]S[5]O){2|C<4>,3|H<1>}	N[5](C[5]N[5]S[5])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	121.2380	0.000	1	121.2380	0.000	1	121.2350	0.000	2	121.2350	0.000	2	125.0650	7.610	27	125.7971	12.142	32
818	542	542	0:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:4:3:	3:4:1:	N[5]-3:N[5]-3:S[5]-2:	C[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](N[5]C[5]2)(N[5]C[5]H)(S[5]C[5])	N[5](C[5]N[5]S[5])(C[5]C[5]HH)(C[5]S[5]S)	N[5](C[5]N[5]S[5])(C[5]C[5]HH)(H)	C[5](N[5]C[5]2)(N[5]C[5]H)(S[5]C[5]){1|C<4>,1|S<1>,1|S<2>,6|H<1>}	N[5](C[5]N[5]S[5])(C[5]C[5]HH)(C[5]S[5]S){2|C<4>,3|H<1>}	N[5](C[5]N[5]S[5])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	121.2320	0.000	1	121.2320	0.000	1	121.2350	0.000	2	121.2350	0.000	2	125.0650	7.610	27	125.7971	12.142	32
818	542	542	0:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(H)	N[5](C[5]C[5]Ru)(C[5]N[5]2)(C[5]N[5]H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(N[5]C[5]2){1|H<1>,1|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(H){1|Ru<6>,1|H<1>,4|C<3>}	N[5](C[5]C[5]Ru)(C[5]N[5]2)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	127.0940	1.210	4	127.0940	1.464	4	127.1156	1.100	5	127.1156	1.100	5	125.0650	7.610	27	125.7971	12.142	32
818	542	542	0:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(N[5]C[5]2){1|H<1>,1|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(H){1|Ru<6>,1|H<1>,4|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(C[5]N[5]2){1|C<4>,2|C<3>,2|H<1>}	127.2020	0.000	1	127.2020	0.000	1	127.1156	1.100	5	127.1156	1.100	5	125.0650	7.610	27	125.7971	12.142	32
818	542	542	0:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:Ga[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]Ga[5])(N[5]C[5]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(Ga[5]N[5])	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	C[5](N[5]C[5,6a]Ga[5])(N[5]C[5]C)2{1|N<3>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(Ga[5]N[5]){1|H<1>,2|C<4>,5|C<3>}	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|Ga<2>,1|C<3>,2|C<4>}	126.1650	1.039	2	126.1650	1.080	2	126.1650	1.080	2	126.2528	3.929	4	125.0650	7.610	27	125.7971	12.142	32
818	542	542	0:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:In[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]In[5])(N[5]C[5]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(In[5]N[5])	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	C[5](N[5]C[5,6a]In[5])(N[5]C[5]C)2{1|N<3>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(In[5]N[5]){1|H<1>,2|C<4>,5|C<3>}	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|In<2>,1|C<3>,2|C<4>}	126.3405	3.268	2	126.3405	10.677	2	126.3405	10.677	2	126.2528	3.929	4	125.0650	7.610	27	125.7971	12.142	32
818	542	542	0:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(C[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]N[5]H)(CH3)	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C){1|Pd<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(C[5]C[5]H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	124.6375	0.211	2	124.6375	0.045	2	123.8712	1.211	10	124.1841	1.541	12	125.0650	7.610	27	125.7971	12.142	32
818	542	542	0:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(C[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]N[5]Ir)(CH3)	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C){1|Ir<6>,1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(C[5]C[5]H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]Ir)(CH3){1|C<4>,1|N<3>,2|C<3>}	123.8420	1.213	4	123.8420	1.471	4	123.8712	1.211	10	124.1841	1.541	12	125.0650	7.610	27	125.7971	12.142	32
818	542	542	0:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(C[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(CH3)	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C){2|Pd<4>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(C[5]C[5]H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(CH3){1|C<4>,1|N<3>,2|C<3>}	124.6045	0.190	2	124.6045	0.036	2	123.8712	1.211	10	124.1841	1.541	12	125.0650	7.610	27	125.7971	12.142	32
818	542	542	0:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]H)(N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]N[5]B)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]2)(N[5]C[5]C){1|B<4>,1|C<4>,2|C<3>,2|O<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]O)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	122.4300	0.000	2	122.4300	0.000	2	123.8712	1.211	10	124.1841	1.541	12	125.0650	7.610	27	125.7971	12.142	32
818	542	542	0:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:N[5]-3:	C[5,6a]-3:Ga[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]Ga[5])(N[5]C[5]C)2	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]N[5]Fe)(C[5]N[5]2)	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	C[5](N[5]C[5,6a]Ga[5])(N[5]C[5]C)2{1|Fe<5>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]N[5]Fe)(C[5]N[5]2){1|H<1>,2|C<4>,5|C<3>}	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|Ga<3>,1|C<3>,2|C<4>}	125.7485	0.424	2	125.7485	0.179	2	125.7485	0.179	2	124.1841	1.541	12	125.0650	7.610	27	125.7971	12.142	32
818	542	542	0:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	4:3:4:	3:4:4:	C[5,6]-4:N[5]-3:N[5]-3:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(N[5]C[5,6]C)(N[5]C[5]2)	N[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]N[5])(CCHH)	N[5](C[5]C[5,6]N[5])(C[5]C[5]HH)2	C[5](C[5,6]O[5,6]C[6]H)(N[5]C[5,6]C)(N[5]C[5]2){1|O<2>,4|C<4>,6|H<1>}	N[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]N[5])(CCHH){3|H<1>,4|C<4>}	N[5](C[5]C[5,6]N[5])(C[5]C[5]HH)2{1|O<2>,3|C<4>,5|H<1>}	130.7905	0.111	2	130.7905	0.012	2	130.7905	0.012	2	130.7905	0.012	2	125.0650	7.610	27	125.7971	12.142	32
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5,5]	N[5,5]	3:3:2:	3:3:2:	3:3:3:	N[5,5]-3:N[5,5]-3:S[5]-2:	C[5,6a]-3:C[5,5]-3:P[5]-2:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	C[5,5](N[5,5]C[5,6a]C[5,5])(N[5,5]C[5,6a]P[5])(S[5]C[5,6a])	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(P[5]C[5,5])	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(C[5,5]P[5]S[5])	C[5,5](N[5,5]C[5,6a]C[5,5])(N[5,5]C[5,6a]P[5])(S[5]C[5,6a]){1|S<2>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(P[5]C[5,5]){1|H<1>,1|S<2>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(C[5,5]P[5]S[5]){1|H<1>,4|C<3>}	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5,5]	N[5]	3:2:3:	4:3:3:	3:3:4:	N[5,5]-3:S[5]-2:N[5]-3:	B[5,5,6,6]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C-4:	C[5,5](N[5,5]B[5,5,6,6]C[5])(S[5]B[5,5,6,6])(N[5]C[5]C)	N[5,5](B[5,5,6,6]B[5,5,6,6]C[3x6]S[5])(C[5,5]N[5]S[5])(C[5]C[5]H)	N[5](C[5,5]N[5,5]S[5])(C[5]C[5]H)(CCCH)	C[5,5](N[5,5]B[5,5,6,6]C[5])(S[5]B[5,5,6,6])(N[5]C[5]C){1|N<3>,1|S<2>,2|C<4>,2|H<1>}	N[5,5](B[5,5,6,6]B[5,5,6,6]C[3x6]S[5])(C[5,5]N[5]S[5])(C[5]C[5]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]N[5,5]S[5])(C[5]C[5]H)(CCCH){1|H<1>,2|B<4>}	109.1635	0.063	2	109.1635	0.004	2	109.1635	0.004	2	109.1635	0.004	2	109.5710	5.928	25	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5,5]	N[5]	3:3:2:	4:3:3:	4:3:3:	N[5,5]-3:N[5]-3:S[5]-2:	C[5,5]-4:C[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-3:C[6a]-3:	C[5,5](N[5,5]C[5,5]C[5])(N[5]C[5,5]C[6a])(S[5]C[5])	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5]S[5])(C[5]C[5]S)	N[5](C[5,5]C[5,5]O[5]H)(C[5,5]N[5,5]S[5])(C[6a]C[6a]2)	C[5,5](N[5,5]C[5,5]C[5])(N[5]C[5,5]C[6a])(S[5]C[5]){1|C<4>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5]S[5])(C[5]C[5]S){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	N[5](C[5,5]C[5,5]O[5]H)(C[5,5]N[5,5]S[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	112.5740	0.000	1	112.5740	0.000	1	112.5740	0.000	1	112.5740	0.000	1	109.5710	5.928	25	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5,5]	N[5]	3:3:2:	4:3:4:	3:4:1:	N[5,5]-3:N[5]-3:N[5]-2:	C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:	C[5,5](N[5,5]C[5,6]C[5])(N[5]C[5]H)(N[5]O[5])	N[5,5](C[5,6]C[6]2O[5])(C[5,5]N[5]2)(C[5]C[5]HH)	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)	C[5,5](N[5,5]C[5,6]C[5])(N[5]C[5]H)(N[5]O[5]){2|C<4>,4|H<1>}	N[5,5](C[5,6]C[6]2O[5])(C[5,5]N[5]2)(C[5]C[5]HH){2|C<4>,7|H<1>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	111.2050	0.000	2	111.2050	0.000	2	111.2050	0.000	2	111.2050	0.000	2	109.5710	5.928	25	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5,5]	N[5]	3:3:3:	3:3:2:	3:3:1:	N[5,5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5,5]-3:N[5]-2:	C[5,5]-3:C[5]-3:H-1:	C[5,5](N[5,5]C[5]N[5])(N[5]N[5]Zn)(N[5]C[5]H)	N[5,5](C[5]C[6]N[5])(C[5,5]N[5]2)(N[5]C[5])	N[5](C[5,5]N[5,5]N[5])(C[5]N[5]C)(H)	C[5,5](N[5,5]C[5]N[5])(N[5]N[5]Zn)(N[5]C[5]H){1|Zn<6>,1|C<3>,1|C<4>}	N[5,5](C[5]C[6]N[5])(C[5,5]N[5]2)(N[5]C[5]){2|Zn<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,5]N[5,5]N[5])(C[5]N[5]C)(H){1|Zn<6>,1|C<3>,1|N<3>}	105.4970	0.000	1	105.4970	0.000	1	105.4970	0.000	1	105.4970	0.000	1	109.5710	5.928	25	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5,5]	N[5]	3:3:3:	3:3:2:	3:3:4:	N[5,5]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:N[5]-2:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,5](N[5,5]C[5,6a]N[5])(N[5]C[5,6a]C)(N[5]C[5]Cu)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CH3)	C[5,5](N[5,5]C[5,6a]N[5])(N[5]C[5,6a]C)(N[5]C[5]Cu){1|H<1>,2|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(N[5]C[5]){1|Cu<5>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CH3){1|Cu<5>,1|H<1>,1|N<2>,3|C<3>}	109.7020	0.000	1	109.7020	0.000	1	109.7020	0.000	1	109.7020	0.000	1	109.5710	5.928	25	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5,5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5,5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5,5]C)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5,5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(CCCH)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5,5]C){2|C<3>,2|H<1>,2|N<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5,5]HH){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(CCCH){1|H<1>,2|C<3>,3|C<4>}	106.5170	0.000	1	106.5170	0.000	1	106.5170	0.000	1	106.5170	0.000	1	109.5710	5.928	25	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5,5]	N[5]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:N[5,5]-3:N[5]-3:	C[5,6a]-3:B[5]-4:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C)	N[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5,5]C[5,6a]N[5])	N[5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C){1|F<1>,6|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5,5]C[5,6a]N[5]){1|C<4>,1|H<1>,8|C<3>}	N[5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(CH3){1|B<4>,1|H<1>,4|C<3>}	110.7920	0.000	1	110.7920	0.000	1	110.7920	0.000	1	110.7920	0.000	1	109.5710	5.928	25	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5,5]	N[5]	3:3:3:	3:4:3:	3:4:1:	C[5]-3:N[5,5]-3:N[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(N[5]C[5]H)	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]C)	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(N[5]C[5]H){1|O<1>,3|C<3>,4|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	109.4050	0.000	1	109.4050	0.000	1	109.4050	0.000	1	109.4050	0.000	1	109.5710	5.928	25	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5,5]	N[5]	3:3:3:	4:3:4:	3:4:1:	N[5,5]-3:C[5]-3:N[5]-3:	C[5]-4:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:	C[5,5](N[5,5]C[5]2)(C[5]C[5]C)(N[5]C[5]H)	N[5,5](C[5]C[6a]C[5]O)(C[5,5]C[5]N[5])(C[5]C[5]HH)	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]C)(N[5]C[5]H){1|O<2>,2|C<3>,4|H<1>}	N[5,5](C[5]C[6a]C[5]O)(C[5,5]C[5]N[5])(C[5]C[5]HH){3|H<1>,4|C<3>}	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	112.6400	0.000	1	112.6400	0.000	1	112.6400	0.000	1	112.6400	0.000	1	109.5710	5.928	25	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5,5]	N[5]	3:3:3:	5:3:3:	3:3:4:	N[5,5]-3:C[5,6]-3:N[5]-3:	Ga[5,5]-5:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C)	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CCHH)	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]){1|C<4>,1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CCHH){1|Ga<5>,1|H<1>,1|N<3>,3|C<3>}	111.9825	0.077	2	111.9825	0.006	2	112.0690	0.018	4	112.0690	0.018	4	109.5710	5.928	25	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5,5]	N[5]	3:3:3:	5:3:3:	3:3:4:	N[5,5]-3:C[5,6]-3:N[5]-3:	Ga[5,5]-5:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C)	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CC[6a]HH)	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]){1|C<4>,1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CC[6a]HH){1|Ga<5>,1|H<1>,1|N<3>,3|C<3>}	112.1555	0.131	2	112.1555	0.017	2	112.0690	0.018	4	112.0690	0.018	4	109.5710	5.928	25	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5,5]	N[5]	3:3:4:	3:3:4:	3:3:1:	N[5,5]-3:N[5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-3:H-1:	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(H)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	109.5710	5.928	25	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5,5]	N[5]	3:4:3:	3:4:3:	3:3:4:	N[5,5]-3:C[5]-4:N[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-3:C-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]H)	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C){6|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]H){2|C<4>,4|H<1>}	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){2|H<1>,3|C<4>}	109.3750	0.000	1	109.3750	0.000	1	109.3750	0.000	1	109.3750	0.000	1	109.5710	5.928	25	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5,5]	N[5]	4:3:3:	3:3:3:	3:3:4:	B[5]-4:N[5,5]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]C)	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(CH3)	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]C){8|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(CH3){1|H<1>,6|C<3>}	106.8160	0.000	1	106.8160	0.000	1	106.8160	0.000	1	106.8160	0.000	1	109.5710	5.928	25	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5,5]	N[5]	4:3:3:	3:4:3:	3:3:4:	B[5]-4:N[5,5]-3:N[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-3:C-4:	C[5,5](B[5]C[5]Br2)(N[5,5]C[5]2)(N[5]C[5]C)	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]CC)(C[5]C[5]H)	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	C[5,5](B[5]C[5]Br2)(N[5,5]C[5]2)(N[5]C[5]C){2|C<4>,4|H<1>}	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]CC)(C[5]C[5]H){2|Br<1>,1|C<4>,3|H<1>}	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){2|Br<1>,1|H<1>,2|C<4>}	106.5993	0.213	3	106.5993	0.045	3	106.1340	0.896	4	108.0730	6.935	7	109.5710	5.928	25	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5,5]	N[5]	4:3:3:	3:4:3:	3:3:4:	B[5]-4:N[5,5]-3:N[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-3:C-4:	C[5,5](B[5]C[5]ClC)(N[5,5]C[5]2)(N[5]C[5]C)	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]CC)(C[5]C[5]H)	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	C[5,5](B[5]C[5]ClC)(N[5,5]C[5]2)(N[5]C[5]C){2|C<4>,4|H<1>}	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]CC)(C[5]C[5]H){1|Cl<1>,2|C<4>,3|H<1>}	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|Cl<1>,1|H<1>,3|C<4>}	104.7380	0.000	1	104.7380	0.000	1	106.1340	0.896	4	108.0730	6.935	7	109.5710	5.928	25	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5,5]	N[5]	4:3:3:	3:4:3:	3:3:4:	C[5,5]-4:N[5,5]-3:N[5]-3:	C[5,6a]-3:B[5]-4:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,5](C[5,5]C[5,5]C[5]Fe)(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C)	N[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[5,5]C[6a]2)(C[5,5]C[5,5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5,5])(CH3)	C[5,5](C[5,5]C[5,5]C[5]Fe)(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C){1|H<1>,2|C<4>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[5,5]C[6a]2)(C[5,5]C[5,5]N[5]){1|Fe<10>,1|H<1>,3|C<4>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5,5])(CH3){1|Fe<10>,1|B<4>,1|H<1>,2|C<3>,2|C<4>}	111.4290	0.518	2	111.4290	0.268	2	111.4290	0.268	2	108.0730	6.935	7	109.5710	5.928	25	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5,5]	N[5]	4:3:3:	3:4:3:	3:3:4:	C[5]-4:N[5,5]-3:N[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5]C[5,5]HH)(N[5,5]C[5]2)(N[5]C[5]C)	N[5,5](C[5,5]C[5]N[5])(C[5]C[5,5]HH)(C[5]C[5]H)	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	C[5,5](C[5]C[5,5]HH)(N[5,5]C[5]2)(N[5]C[5]C){2|C<4>,4|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5,5]HH)(C[5]C[5]H){3|C<4>,3|H<1>}	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){2|C<4>,3|H<1>}	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	108.0730	6.935	7	109.5710	5.928	25	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5]	N[5,5]	3:3:2:	3:3:4:	3:3:3:	N[5,5]-3:N[5]-3:N[5]-2:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(N[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CC[6a]HH)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]Se[5]N)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(N[5]Se[5]){1|N<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CC[6a]HH){1|Se<2>,1|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]Se[5]N){1|C<4>,1|H<1>,2|C<3>}	106.8130	0.000	1	106.8130	0.000	1	106.8130	0.000	1	106.8130	0.000	1	109.7432	5.214	23	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5]	N[5,5]	3:3:2:	3:3:4:	3:4:3:	N[5]-3:N[5,5]-3:S[5]-2:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](N[5]C[6a]C[5])(N[5,5]C[5]2)(S[5]C[5])	N[5](C[5,5]N[5,5]S[5])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]HH)(C[5]C[5]S)	C[5,5](N[5]C[6a]C[5])(N[5,5]C[5]2)(S[5]C[5]){1|S<1>,3|C<3>,4|H<1>}	N[5](C[5,5]N[5,5]S[5])(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,4|H<1>}	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]HH)(C[5]C[5]S){2|C<3>,2|H<1>}	112.7115	0.240	2	112.7115	0.057	2	112.7115	0.057	2	112.7115	0.057	2	109.7432	5.214	23	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5]	N[5,5]	3:3:2:	3:4:1:	3:4:4:	N[5,5]-3:N[5]-3:N[5]-2:	C[5,5]-3:C[5]-4:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(N[5]C[5]H)(N[5]C[5])	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	C[5,5](N[5,5]C[5]2)(N[5]C[5]H)(N[5]C[5]){8|H<1>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H){2|C<4>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{5|H<1>}	112.3670	0.000	1	112.3670	0.000	1	112.3670	0.000	1	112.3670	0.000	1	109.7432	5.214	23	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5]	N[5,5]	3:3:2:	3:4:3:	3:4:3:	N[5,5]-3:N[5]-3:N[5]-2:	C[5,5]-3:C[5]-4:C-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](N[5,5]C[5]2)(N[5]C[5]C)(N[5]S[5])	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]S)	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)(C[5]S[5]S)	C[5,5](N[5,5]C[5]2)(N[5]C[5]C)(N[5]S[5]){1|S<1>,4|H<1>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]S){1|C<3>,1|S<2>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)(C[5]S[5]S){1|C<3>,2|H<1>}	108.3300	0.000	1	108.3300	0.000	1	108.3300	0.000	1	108.3300	0.000	1	109.7432	5.214	23	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5]	N[5,5]	3:3:2:	3:4:4:	3:4:3:	N[5,5]-3:N[5]-3:N[5]-2:	C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](N[5,5]C[5]2)(N[5]C[5]C)(N[5]S[5])	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CC[6a]HH)	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)(C[5]S[5]S)	C[5,5](N[5,5]C[5]2)(N[5]C[5]C)(N[5]S[5]){1|S<1>,4|H<1>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)(C[5]S[5]S){1|C<4>,2|H<1>}	109.3030	0.000	2	109.3030	0.000	2	109.3030	0.000	2	109.3030	0.000	2	109.7432	5.214	23	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5]	N[5,5]	3:3:2:	3:4:4:	3:4:4:	N[5,5]-3:N[5]-3:N[5]-2:	C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(N[5]C[5]C)(N[5]C[5])	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH)	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	C[5,5](N[5,5]C[5]2)(N[5]C[5]C)(N[5]C[5]){8|H<1>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH){2|C<4>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{1|C<4>,4|H<1>}	109.2843	0.149	3	109.2843	0.022	3	109.2843	0.022	3	109.2843	0.022	3	109.7432	5.214	23	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5]	N[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:B[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C[6a])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2)	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5])(B[5]C[5,6a]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5])(B[5]C[5,6a]CC){6|C<3>}	111.3383	0.135	4	111.3383	0.018	4	111.3383	0.018	4	111.3383	0.018	4	109.7432	5.214	23	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5]	N[5,5]	3:3:3:	3:4:1:	3:4:4:	N[5,5]-3:N[5]-3:N[5]-3:	C[5,5]-3:C[5]-4:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(N[5]C[5]H)2	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H)	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	C[5,5](N[5,5]C[5]2)(N[5]C[5]H)2{2|C<4>,6|H<1>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H){2|C<4>,3|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	112.7095	0.046	2	112.7095	0.002	2	112.7095	0.002	2	112.7095	0.002	2	109.7432	5.214	23	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5]	N[5,5]	3:4:3:	3:4:4:	3:4:3:	N[5]-3:Ge[5]-4:N[5,5]-3:	C[5,5]-3:C[3x6]-4:C[5]-4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](N[5]C[3x6]C[5])(Ge[5]N[5]Ir2)(N[5,5]C[5]2)	N[5](C[5,5]N[5,5]Ge[5])(C[3x6]C[6,6]3)(C[5]C[5]HH)	N[5,5](C[5,5]Ge[5]N[5])(C[5]C[5]HH)(C[5]N[5]C)	C[5,5](N[5]C[3x6]C[5])(Ge[5]N[5]Ir2)(N[5,5]C[5]2){1|C<3>,4|C<4>,4|H<1>}	N[5](C[5,5]N[5,5]Ge[5])(C[3x6]C[6,6]3)(C[5]C[5]HH){2|Ir<6>,1|C<3>,1|N<3>,3|C<4>,8|H<1>}	N[5,5](C[5,5]Ge[5]N[5])(C[5]C[5]HH)(C[5]N[5]C){2|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	109.7760	0.000	1	109.7760	0.000	1	109.7113	0.195	3	109.7113	0.195	3	109.7432	5.214	23	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5]	N[5,5]	3:4:3:	3:4:4:	3:4:3:	N[5]-3:Ge[5]-4:N[5,5]-3:	C[5,5]-3:C[3x6]-4:C[5]-4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](N[5]C[3x6]C[5])(Ge[5]N[5]Rh2)(N[5,5]C[5]2)	N[5](C[5,5]N[5,5]Ge[5])(C[3x6]C[6,6]3)(C[5]C[5]HH)	N[5,5](C[5,5]Ge[5]N[5])(C[5]C[5]HH)(C[5]N[5]C)	C[5,5](N[5]C[3x6]C[5])(Ge[5]N[5]Rh2)(N[5,5]C[5]2){1|C<3>,4|C<4>,4|H<1>}	N[5](C[5,5]N[5,5]Ge[5])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|Rh<4>,1|Rh<6>,1|C<3>,1|N<3>,3|C<4>,8|H<1>}	N[5,5](C[5,5]Ge[5]N[5])(C[5]C[5]HH)(C[5]N[5]C){1|Rh<4>,1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	109.6790	0.619	2	109.6790	0.384	2	109.7113	0.195	3	109.7113	0.195	3	109.7432	5.214	23	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5]	N[5,5]	4:3:3:	3:3:1:	3:3:3:	B[5]-4:N[5,5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5])	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]H){8|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(H){1|H<1>,6|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5]){3|H<1>,6|C<3>}	106.2730	0.000	1	106.2730	0.000	1	106.2730	0.000	1	106.2730	0.000	1	109.7432	5.214	23	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,5]	N[5]	N[5,5]	4:3:3:	3:3:3:	3:4:3:	B[5]-4:N[5]-3:N[5,5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](B[5]C[6a]C[5]H)(N[5]C[6a]C[5])(N[5,5]C[5]2)	N[5](C[5,5]N[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]HH)(C[5]C[5]H)	C[5,5](B[5]C[6a]C[5]H)(N[5]C[6a]C[5])(N[5,5]C[5]2){1|C<4>,4|C<3>,5|H<1>}	N[5](C[5,5]N[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,3|C<3>,4|C<4>}	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	106.1740	0.109	3	106.1740	0.012	3	106.1740	0.012	3	106.1740	0.012	3	109.7432	5.214	23	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6,6]	N[5,6]	N[5,6]	3:3:3:	3:4:4:	3:4:4:	N[5,6]-3:N[5,6]-3:N[6,6]-3:	C[5,6,6]-3:B[5,5]-4:C[6]-4:	C[5,6,6]-3:B[5,5]-4:C[6]-4:	C[5,6,6](N[5,6]B[5,5]C[6])2(N[6,6]C[6]2)	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]C)(C[6]C[6]HH)	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]C)(C[6]C[6]HH)	C[5,6,6](N[5,6]B[5,5]C[6])2(N[6,6]C[6]2){2|C<2>,2|C<4>,2|N<3>,8|H<1>}	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]C)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]C)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	115.0975	0.042	2	115.0975	0.002	2	115.3120	0.060	5	115.3120	0.060	5	115.3120	0.060	5	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6,6]	N[5,6]	N[5,6]	3:3:3:	3:4:4:	3:4:4:	N[5,6]-3:N[5,6]-3:N[6,6]-3:	C[5,6,6]-3:B[5,5]-4:C[6]-4:	C[5,6,6]-3:B[5,5]-4:C[6]-4:	C[5,6,6](N[5,6]B[5,5]C[6])2(N[6,6]C[6]2)	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]N)(C[6]C[6]HH)	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]N)(C[6]C[6]HH)	C[5,6,6](N[5,6]B[5,5]C[6])2(N[6,6]C[6]2){2|C<4>,4|N<3>,8|H<1>}	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]N)(C[6]C[6]HH){1|C<3>,2|H<1>,2|N<3>,4|C<4>}	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]N)(C[6]C[6]HH){1|C<3>,2|H<1>,2|N<3>,4|C<4>}	115.3700	0.208	2	115.3700	0.043	2	115.3120	0.060	5	115.3120	0.060	5	115.3120	0.060	5	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6,6]	N[5,6]	N[5,6]	3:3:3:	3:4:4:	3:4:4:	N[5,6]-3:N[5,6]-3:N[6,6]-3:	C[5,6,6]-3:B[5,5]-4:C[6]-4:	C[5,6,6]-3:B[5,5]-4:C[6]-4:	C[5,6,6](N[5,6]B[5,5]C[6])2(N[6,6]C[6]2)	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]O)(C[6]C[6]HH)	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]O)(C[6]C[6]HH)	C[5,6,6](N[5,6]B[5,5]C[6])2(N[6,6]C[6]2){2|C<4>,2|N<3>,2|O<2>,8|H<1>}	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	115.6250	0.000	1	115.6250	0.000	1	115.3120	0.060	5	115.3120	0.060	5	115.3120	0.060	5	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6,6]	N[5]	3:3:3:	4:3:4:	3:4:1:	N[5,6,6]-3:N[5]-3:N[6]-3:	C[5,6]-4:C[5,6]-3:C[6,6]-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,6,6]C[5,6]C[6,6])(N[5]C[5]H)(N[6]C[6]H)	N[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]N[5]N[6])(C[6,6]C[6]2H)	N[5](C[5,6]N[5,6,6]N[6])(C[5]C[5,6]HH)(H)	C[5,6](N[5,6,6]C[5,6]C[6,6])(N[5]C[5]H)(N[6]C[6]H){4|C<4>,5|H<1>}	N[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]N[5]N[6])(C[6,6]C[6]2H){3|C<4>,9|H<1>}	N[5](C[5,6]N[5,6,6]N[6])(C[5]C[5,6]HH)(H){2|H<1>,3|C<4>}	112.1480	0.000	1	112.1480	0.000	1	112.1480	0.000	1	112.1480	0.000	1	112.1480	0.000	1	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5,5]	3:3:3:	3:3:4:	3:3:4:	N[5,6]-3:N[5,5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:B[5]-4:	C[5,6]-3:N[5,5]-3:B[5]-4:	C[5,6](N[5,6]C[6,6a]B[5])(N[5,5]N[5,5]B[5])(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]N[5,5]C[6])(B[5]N[5,5]FF)	N[5,5](C[5,6]N[5,6]C[6])(N[5,5]C[5,6]B[5])(B[5]N[5,6]FF)	C[5,6](N[5,6]C[6,6a]B[5])(N[5,5]N[5,5]B[5])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,4|F<1>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]N[5,5]C[6])(B[5]N[5,5]FF){1|B<4>,1|H<1>,4|C<3>}	N[5,5](C[5,6]N[5,6]C[6])(N[5,5]C[5,6]B[5])(B[5]N[5,6]FF){1|H<1>,2|F<1>,4|C<3>}	112.0950	0.000	1	112.0950	0.000	1	112.0950	0.000	1	112.0950	0.000	1	112.0950	0.000	1	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5,6]	3:3:3:	3:3:3:	3:2:3:	N[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:P[5]-2:C[6]-3:	C[5,6](N[5,6]C[5,6]C[6])(N[5,6]C[6]P[5])(C[6]C[6]H)	N[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H)	N[5,6](C[5,6]N[5,6]C[6])(P[5]C[5,6])(C[6]C[6]H)	C[5,6](N[5,6]C[5,6]C[6])(N[5,6]C[6]P[5])(C[6]C[6]H){3|C<3>,3|H<1>}	N[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H){3|C<3>,3|H<1>}	N[5,6](C[5,6]N[5,6]C[6])(P[5]C[5,6])(C[6]C[6]H){2|H<1>,3|C<3>}	110.7180	0.000	2	110.7180	0.000	2	110.7180	0.000	2	110.7180	0.000	2	111.3102	0.660	5	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:N[5,6]-3:N[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6,6a]-3:P[5]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5])	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]P[5])	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(P[5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5]){1|H<1>,7|C<3>}	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]P[5]){1|H<1>,7|C<3>}	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(P[5]C[5,6]){1|H<1>,6|C<3>}	111.9970	0.000	1	111.9970	0.000	1	111.9970	0.000	1	111.3685	0.790	2	111.3102	0.660	5	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5,6]	3:3:3:	3:3:3:	3:3:2:	N[5,6]-3:N[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:	C[6,6a]-3:C[5,6]-3:P[5]-2:	C[5,6](N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5])(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(P[5]C[5,6])	C[5,6](N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5])(C[6]C[6]H){1|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5]){3|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(P[5]C[5,6]){2|H<1>,5|C<3>}	110.7400	0.000	1	110.7400	0.000	1	110.7400	0.000	1	111.3685	0.790	2	111.3102	0.660	5	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5,6]	3:3:3:	3:3:3:	3:6:3:	N[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:P[5]-6:C[6]-3:	C[5,6](N[5,6]C[5,6]C[6])(N[5,6]C[6]P[5])(C[6]C[6]H)	N[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H)	N[5,6](C[5,6]N[5,6]C[6])(P[5]C[5,6]F4)(C[6]C[6]H)	C[5,6](N[5,6]C[5,6]C[6])(N[5,6]C[6]P[5])(C[6]C[6]H){3|C<3>,3|H<1>,4|F<1>}	N[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H){3|C<3>,3|H<1>,4|F<1>}	N[5,6](C[5,6]N[5,6]C[6])(P[5]C[5,6]F4)(C[6]C[6]H){2|H<1>,3|C<3>}	112.3780	0.000	1	112.3780	0.000	1	112.3780	0.000	1	112.3780	0.000	1	111.3102	0.660	5	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:2:3:	3:4:3:	3:3:4:	N[5,6]-3:P[6]-2:N[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(P[6]C[5,6])(N[5]C[5]C)	N[5,6](C[5,6]N[5]P[6])(C[6]N[5,6]HH)(C[5]C[5]H)	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CC[6a]HH)	C[5,6](N[5,6]C[5]C[6])(P[6]C[5,6])(N[5]C[5]C){2|N<3>,4|H<1>}	N[5,6](C[5,6]N[5]P[6])(C[6]N[5,6]HH)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	105.6273	0.166	4	105.6273	0.027	4	105.7590	0.111	12	105.7590	0.111	12	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:2:3:	3:4:3:	3:3:4:	N[5,6]-3:P[6]-2:N[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(P[6]C[5,6])(N[5]C[5]C)	N[5,6](C[5,6]N[5]P[6])(C[6]N[5,6]HH)(C[5]C[5]H)	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CH3)	C[5,6](N[5,6]C[5]C[6])(P[6]C[5,6])(N[5]C[5]C){2|N<3>,4|H<1>}	N[5,6](C[5,6]N[5]P[6])(C[6]N[5,6]HH)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	105.8249	0.385	8	105.8249	0.148	8	105.7590	0.111	12	105.7590	0.111	12	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:2:3:	3:4:4:	3:4:4:	N[5,6]-3:O[6]-2:N[5]-3:	C[5,6]-3:B[6]-4:C[5]-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](N[5,6]B[6]C[5])(O[6]B[5,5,6])(N[5]C[5]C)	N[5,6](C[5,6]N[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH)	N[5](C[5,6]N[5,6]O[6])(C[5]C[5]HH)(CCCH)	C[5,6](N[5,6]B[6]C[5])(O[6]B[5,5,6])(N[5]C[5]C){1|C<4>,1|O<2>,2|N<4>,5|H<1>}	N[5,6](C[5,6]N[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH){1|B<4>,2|H<1>,3|C<4>}	N[5](C[5,6]N[5,6]O[6])(C[5]C[5]HH)(CCCH){1|C<4>,1|H<1>,2|B<4>}	114.8760	0.000	1	114.8760	0.000	1	114.8760	0.000	1	114.8760	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5,6]-3:N[5]-3:N[6]-2:	C[6,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](N[5,6]C[6,6]C[5])(N[5]C[6a]C[5])(N[6]Si[5,6])	N[5,6](C[6,6]C[5,6,6]C[6])(C[5,6]N[5]N[6])(C[5]C[5]H)	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6](N[5,6]C[6,6]C[5])(N[5]C[6a]C[5])(N[6]Si[5,6]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5,6](C[6,6]C[5,6,6]C[6])(C[5,6]N[5]N[6])(C[5]C[5]H){1|Si<4>,1|H<1>,2|C<3>,3|C<4>}	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	104.3100	0.000	1	104.3100	0.000	1	104.3100	0.000	1	104.3100	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5,6]-3:N[5]-3:N[6]-2:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]C[5,6a]C[6,6a])(N[5]C[5,6a]C)(N[6]S[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]N[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C[5,6](N[5,6]C[5,6a]C[6,6a])(N[5]C[5,6a]C)(N[6]S[6]){2|O<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]N[6]){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH){1|H<1>,1|S<4>,3|C<3>}	108.3520	0.000	1	108.3520	0.000	1	108.3520	0.000	1	108.3520	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:2:	3:3:4:	3:3:1:	N[5,6]-3:N[5]-3:N[6]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]C[5,6a]B[6])(N[5]C[5,6a]H)(N[6]C[5,6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(B[6]N[5,6]FF)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(H)	C[5,6](N[5,6]C[5,6a]B[6])(N[5]C[5,6a]H)(N[6]C[5,6]){1|N<3>,2|F<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(B[6]N[5,6]FF){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(H){1|B<4>,1|H<1>,3|C<3>}	110.4350	0.000	1	110.4350	0.000	1	110.4350	0.000	1	110.4350	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5,6]-3:N[5]-3:N[6]-2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(N[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]S[6]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(N[6]C[6]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]S[6]HH){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH){1|C<4>,1|H<1>,3|C<3>}	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	107.4763	1.167	3	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5,6]-3:N[5]-3:N[6]-2:	C[5,6a]-3:C[5,6]-3:S[6]-4:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]C[5,6a]S[6])(N[5]C[5,6a]C)(N[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(S[6]C[6,6a]OO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C[5,6](N[5,6]C[5,6a]S[6])(N[5]C[5,6a]C)(N[6]C[6,6a]){2|O<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(S[6]C[6,6a]OO){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH){1|H<1>,1|S<4>,3|C<3>}	106.8705	0.363	2	106.8705	0.132	2	106.8705	0.132	2	107.4763	1.167	3	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:2:	3:4:2:	3:2:4:	N[5,6]-3:N[5]-3:S[6]-2:	C[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:N[5]-2:C-4:	C[5,6](N[5,6]C[6]N[5])(N[5]N[5]C)(S[6]C[6])	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(N[5]N[5])	N[5](C[5,6]N[5,6]S[6])(N[5]N[5])(CH3)	C[5,6](N[5,6]C[6]N[5])(N[5]N[5]C)(S[6]C[6]){1|C<4>,4|H<1>}	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(N[5]N[5]){1|H<1>,1|O<2>,2|C<4>}	N[5](C[5,6]N[5,6]S[6])(N[5]N[5])(CH3){2|C<4>}	104.7720	0.000	1	104.7720	0.000	1	104.7720	0.000	1	104.7720	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:2:	3:4:2:	3:3:4:	N[5,6]-3:N[5]-3:S[6]-2:	C[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]C)(S[6]C[6])	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(N[5]C[5])	N[5](C[5,6]N[5,6]S[6])(C[5]N[5]H)(CH3)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]C)(S[6]C[6]){1|C<4>,5|H<1>}	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(N[5]C[5]){1|O<2>,2|C<4>,2|H<1>}	N[5](C[5,6]N[5,6]S[6])(C[5]N[5]H)(CH3){2|C<4>}	106.9950	0.000	1	106.9950	0.000	1	106.9950	0.000	1	106.9950	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:2:	3:4:3:	3:3:1:	N[5,6]-3:N[5]-3:N[6]-2:	C[5,6a]-3:C[6]-4:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(N[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(H)	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(N[6]C[6]){1|H<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[5]N[6]){3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(H){1|C<4>,1|H<1>,3|C<3>}	112.8570	0.000	1	112.8570	0.000	1	112.8570	0.000	1	112.8570	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:2:	3:4:3:	3:3:4:	N[5,6]-3:N[5]-3:Ge[6]-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(Ge[6]N[6])	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3)	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(Ge[6]N[6]){2|C<4>,4|H<1>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,1|N<3>}	104.4980	0.000	1	104.4980	0.000	1	104.4980	0.000	1	107.3148	3.567	4	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:2:	3:4:3:	3:3:4:	N[5,6]-3:N[5]-3:S[6]-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(S[6]C[6])	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(C[5]C[5]H)	N[5](C[5,6]N[5,6]S[6])(C[5]C[5]H)(CH3)	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(S[6]C[6]){1|C<4>,6|H<1>}	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(C[5]C[5]H){1|O<2>,2|C<4>,2|H<1>}	N[5](C[5,6]N[5,6]S[6])(C[5]C[5]H)(CH3){1|H<1>,2|C<4>}	108.2537	0.246	3	108.2537	0.061	3	108.2537	0.061	3	107.3148	3.567	4	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:2:	3:4:3:	3:4:1:	N[5,6]-3:N[5]-3:N[6]-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]H)(N[6]C[6])	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]S[6]S)	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]H)(N[6]C[6]){1|S<2>,2|S<1>,4|H<1>}	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]S[6]S){1|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	108.8610	0.000	2	108.8610	0.000	2	108.8610	0.000	2	108.8610	0.000	2	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:2:	3:4:3:	3:4:2:	N[5,6]-3:N[5]-3:S[6]-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C-4:N[5]-2:	C[5,6](N[5,6]C[5]C[6])(N[5]N[5]C)(S[6]C[6])	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(C[5]N[5]H)	N[5](C[5,6]N[5,6]S[6])(CC[6a]HH)(N[5]C[5])	C[5,6](N[5,6]C[5]C[6])(N[5]N[5]C)(S[6]C[6]){1|C<4>,5|H<1>}	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(C[5]N[5]H){2|C<4>,2|H<1>}	N[5](C[5,6]N[5,6]S[6])(CC[6a]HH)(N[5]C[5]){1|H<1>,2|C<4>}	106.3130	0.000	1	106.3130	0.000	1	106.3130	0.000	1	106.3130	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:2:	3:4:3:	3:4:3:	N[5,6]-3:N[5]-3:N[6]-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(N[6]C[6])	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]N[6]S)	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CNS)	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(N[6]C[6]){1|N<2>,1|N<3>,1|S<1>,4|H<1>}	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]N[6]S){2|H<1>,3|C<3>}	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CNS){2|C<3>,2|H<1>}	108.8520	0.000	2	108.8520	0.000	2	108.8520	0.000	2	108.8520	0.000	2	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:2:	4:3:3:	3:3:1:	N[5,6]-3:N[5]-3:N[6]-2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]H)(N[6]C[6])	N[5,6](C[5]C[6a]C[5]O)(C[5,6]N[5]N[6])(C[6]C[6]H)	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]N)(H)	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]H)(N[6]C[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5,6](C[5]C[6a]C[5]O)(C[5,6]N[5]N[6])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]N)(H){1|O<2>,3|C<3>}	110.5690	0.000	1	110.5690	0.000	1	110.5690	0.000	1	110.5690	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:2:	4:3:3:	3:3:2:	N[5,6]-3:N[5]-3:N[6]-2:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:N[5]-2:	C[5,6](N[5,6]C[5,6,6]C[5])(N[5]C[6a]N[5])(N[6]C[6])	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]N[5]N[6])(C[5]N[5]C)	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(N[5]C[5])	C[5,6](N[5,6]C[5,6,6]C[5])(N[5]C[6a]N[5])(N[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]N[5]N[6])(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	104.9460	0.170	3	104.9460	0.029	3	104.9460	0.029	3	104.9460	0.029	3	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5a,6]N[5])(C[6]C[6]C)	N[5](C[5,6]C[5a,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|N<2>,2|C<4>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5a,6]N[5])(C[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5a,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	112.4130	0.000	1	112.4130	0.000	1	112.4130	0.000	1	112.4130	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:3:3:	3:3:4:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(N[5]C[5]C)	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]C){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3){4|C<3>}	106.7810	0.000	1	106.7810	0.000	1	106.7810	0.000	1	106.6975	0.014	2	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:3:3:	3:3:4:	N[5,6]-3:C[6]-3:N[5]-3:	C[6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]H)(N[5]N[5]C)	N[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]N[5]Rh)	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(CH3)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]H)(N[5]N[5]C){1|Rh<6>,1|C<4>,3|C<3>}	N[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]N[5]Rh){1|H<1>,2|C<4>,4|C<3>}	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(CH3){1|Rh<6>,1|H<1>,2|C<3>}	106.6140	0.000	1	106.6140	0.000	1	106.6140	0.000	1	106.6975	0.014	2	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]C)	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]C){1|N<2>,3|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	109.8410	0.000	1	109.8410	0.000	1	109.1460	0.358	4	108.4438	2.139	9	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H)	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|N<3>,2|H<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H){1|N<2>,3|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	109.4280	0.000	1	108.9143	0.215	3	109.1460	0.358	4	108.4438	2.139	9	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H)	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|N<3>,2|H<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H){3|H<1>,6|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	108.6575	0.185	2	108.9143	0.215	3	109.1460	0.358	4	108.4438	2.139	9	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:3:4:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<2>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	107.0020	0.000	2	107.0020	0.000	2	107.0020	0.000	2	108.4438	2.139	9	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:3:4:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]C)(N[5]C[5]H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<2>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	107.0960	0.000	1	107.1850	0.016	2	107.1850	0.016	2	108.4438	2.139	9	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:3:4:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]C)(N[5]C[5]H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	107.2740	0.000	1	107.1850	0.016	2	107.1850	0.016	2	108.4438	2.139	9	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:3:4:	3:3:1:	N[5,6]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]C[5,6a]B[6])(N[5]C[5,6a]H)(C[6]C[5,6]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(B[6]N[5,6]FF)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(H)	C[5,6](N[5,6]C[5,6a]B[6])(N[5]C[5,6a]H)(C[6]C[5,6]C){1|N<3>,2|F<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(B[6]N[5,6]FF){1|C<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(H){1|B<4>,1|C<2>,1|H<1>,3|C<3>}	111.0360	0.000	1	111.0360	0.000	1	111.0360	0.000	1	108.4438	2.139	9	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH)	N[5](C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5]){5|H<1>,6|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH){3|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	110.8370	0.000	1	110.8370	0.000	1	110.8370	0.000	1	110.8370	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:3:4:	3:4:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(N[5]C[5]H){3|C<3>,5|H<1>}	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	108.6120	0.000	2	108.6120	0.000	2	108.6120	0.000	2	108.6120	0.000	2	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:4:2:	3:3:4:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:B[6]-4:N[5]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(N[5]C[5]C)	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2C[6])(N[5]C[5])	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]N[5])(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(N[5]C[5]C){1|C<4>,1|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2C[6])(N[5]C[5]){1|C<4>,2|H<1>,7|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]N[5])(CH3){1|B<4>,4|C<3>}	108.1740	0.000	1	108.1740	0.000	1	108.1740	0.000	1	108.1740	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H){1|C<3>,1|O<1>,3|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	110.4160	0.000	1	110.4160	0.000	1	109.4753	0.686	3	109.4753	0.686	3	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H){1|C<3>,1|O<1>,3|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	108.8570	0.000	1	108.8570	0.000	1	109.4753	0.686	3	109.4753	0.686	3	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|O<1>,4|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|O<1>,3|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H){2|C<3>,3|H<1>}	109.1530	0.000	1	109.1530	0.000	1	109.4753	0.686	3	109.4753	0.686	3	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6a]-3:B[5,6]-4:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(N[5]C[5,6a]C[6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]N[5])	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]N[5]){1|H<1>,9|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	109.7000	0.000	1	109.7000	0.000	1	109.7000	0.000	1	110.2025	0.505	2	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6a]-3:B[6,6]-4:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6,6])(N[5]C[5,6a]C[6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6,6]C[6,6a]2O[6])(C[5,6]C[6,6a]N[5])	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6,6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6,6]C[6,6a]2O[6])(C[5,6]C[6,6a]N[5]){1|H<1>,9|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	110.7050	0.000	1	110.7050	0.000	1	110.7050	0.000	1	110.2025	0.505	2	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:4:3:	3:4:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]N)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]N)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]N)(N[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]N){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	108.9240	1.006	4	108.9240	1.011	4	108.4512	0.728	9	108.4512	0.728	9	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:4:3:	3:4:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,2|C<3>,5|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	108.9630	0.000	1	108.9630	0.000	1	108.4512	0.728	9	108.4512	0.728	9	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:4:3:	3:4:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	107.6660	0.000	1	107.7323	0.011	3	108.4512	0.728	9	108.4512	0.728	9	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:4:3:	3:4:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<1>,6|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	107.6760	0.000	1	107.7323	0.011	3	108.4512	0.728	9	108.4512	0.728	9	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:4:3:	3:4:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<1>,6|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	107.8550	0.000	1	107.7323	0.011	3	108.4512	0.728	9	108.4512	0.728	9	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:4:3:	3:4:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]S)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<1>,5|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	108.2050	0.000	1	108.2050	0.000	1	108.4512	0.728	9	108.4512	0.728	9	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:4:3:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CCO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CCO){3|H<1>,4|C<3>}	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:4:3:	3:4:4:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<3>,2|H<1>}	110.7070	0.000	1	110.7070	0.000	1	110.7070	0.000	1	110.7070	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:4:4:	3:4:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]H){1|C<4>,7|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|N<3>,1|O<1>,5|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	113.9300	0.000	1	113.9300	0.000	1	113.9300	0.000	1	113.9300	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	3:4:4:	3:4:4:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|C<4>,1|O<2>,7|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO){1|N<3>,2|C<4>,4|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	109.4390	0.000	1	109.4390	0.000	1	109.4390	0.000	1	109.4390	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	4:3:2:	3:3:4:	N[5,6]-3:N[5]-3:N[6]-3:	C[6]-4:C[5,6]-3:N[5]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5])	N[5](C[5,6]N[5,6]N[6])(C[5]N[5]N)(CCHH)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]N[5,6]N[6])(C[5]N[5]N)(CCHH){1|H<1>,2|C<4>}	107.1620	0.000	1	107.1620	0.000	1	107.1620	0.000	1	107.1620	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	4:3:3:	3:4:4:	N[5,6]-3:C[6]-3:N[5]-3:	B[5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-4:C-4:	C[5,6](N[5,6]B[5,6,6]C[6])(C[6]C[6]H)(N[5]C[5]C)	N[5,6](B[5,6,6]C[6,6]2C[5])(C[5,6]C[6]N[5])(C[6]C[6]H)	N[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]HH)(CH3)	C[5,6](N[5,6]B[5,6,6]C[6])(C[6]C[6]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	N[5,6](B[5,6,6]C[6,6]2C[5])(C[5,6]C[6]N[5])(C[6]C[6]H){1|C<3>,1|F<1>,5|C<4>,5|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]HH)(CH3){1|H<1>,2|C<3>,2|C<4>}	112.3950	0.000	1	112.3950	0.000	1	112.3950	0.000	1	112.3950	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	4:3:4:	3:4:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6]C[5a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<3>,1|C<4>,7|H<1>}	N[5,6](C[6]C[5a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|H<1>}	108.7950	0.000	1	108.7950	0.000	1	109.3743	0.568	3	109.3743	0.568	3	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	4:3:4:	3:4:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){2|C<3>,6|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|H<1>,4|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	110.2260	0.000	1	110.2260	0.000	1	109.3743	0.568	3	109.3743	0.568	3	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	4:3:4:	3:4:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|H<1>}	109.1020	0.000	1	109.1020	0.000	1	109.3743	0.568	3	109.3743	0.568	3	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	4:3:4:	3:4:4:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C)	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C){1|N<3>,2|C<4>,6|H<1>}	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	109.4620	0.000	1	109.4620	0.000	1	109.4620	0.000	1	110.0113	0.185	4	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	4:3:4:	3:4:4:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|O<2>,3|C<4>,5|H<1>}	N[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|C<4>,6|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	110.0370	0.000	1	110.0370	0.000	1	110.1943	0.077	3	110.0113	0.185	4	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	4:3:4:	3:4:4:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|N<3>,2|C<4>,6|H<1>}	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	110.5140	0.000	1	110.5140	0.000	1	110.1943	0.077	3	110.0113	0.185	4	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:3:	4:3:4:	3:4:4:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|O<2>,2|C<4>,6|H<1>}	N[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|C<4>,4|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	110.0320	0.000	1	110.0320	0.000	1	110.1943	0.077	3	110.0113	0.185	4	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:4:	3:3:3:	3:3:2:	N[5,6]-3:N[5]-3:B[6]-4:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:N[5]-2:	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]N[5])(B[6]O[6]CC)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]B[6]N[5])(C[5]N[5]H)	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(N[5]C[5])	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]N[5])(B[6]O[6]CC){1|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]B[6]N[5])(C[5]N[5]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	103.5080	0.154	2	103.5080	0.024	2	103.5080	0.024	2	103.5080	0.024	2	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5,6]-3:N[5]-3:B[6]-4:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(B[6]C[6]HN)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]B[6]N[5])(C[5]C[5]H)	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(B[6]C[6]HN){2|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]B[6]N[5])(C[5]C[5]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	104.3750	0.000	1	104.3750	0.000	1	104.3750	0.000	1	104.3750	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5,6]-3:N[5]-3:Ga[6]-4:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(Ga[6]O[6]CC)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Ga[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]Ga[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(Ga[6]O[6]CC){4|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Ga[6]N[5])(C[5]C[5]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]Ga[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:3:4:	3:4:3:	3:3:3:	N[5,6]-3:N[5]-3:B[6]-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(B[6]O[6]CC)	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]C)	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(B[6]O[6]CC){2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,2|C<3>,6|C<4>}	104.5220	0.000	1	104.5220	0.000	1	104.5220	0.000	1	104.5220	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:4:3:	3:3:3:	3:3:4:	N[5,6]-3:B[6]-4:N[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6](N[5,6]C[6,6a]C[5])(B[6]N[5a,6]CC)(N[5]C[5]C)	N[5,6](C[6,6a]C[5a,6,6a]N[6a])(C[5,6]B[6]N[5])(C[5]C[5]H)	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CH3)	C[5,6](N[5,6]C[6,6a]C[5])(B[6]N[5a,6]CC)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	N[5,6](C[6,6a]C[5a,6,6a]N[6a])(C[5,6]B[6]N[5])(C[5]C[5]H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	104.0570	0.000	1	104.0570	0.000	1	104.0570	0.000	1	106.1090	8.421	2	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:4:3:	3:3:3:	3:3:4:	N[5,6]-3:C[6]-4:N[5]-3:	C[6,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6](N[5,6]C[6,6]C[5])(C[6]O[6]HH)(N[5]C[5]C)	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3)	C[5,6](N[5,6]C[6,6]C[5])(C[6]O[6]HH)(N[5]C[5]C){2|C<3>,2|H<1>}	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,3|H<1>}	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	106.1090	8.421	2	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:4:3:	3:3:4:	3:3:4:	N[5,6]-3:C[6]-4:N[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[6]N[5,6]HH)(N[5]C[5,6a]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[5,6]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]C[5,6a]C[6])(C[6]N[5,6]HH)(N[5]C[5,6a]C){2|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[5,6]HH){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.8320	0.000	1	109.8320	0.000	1	109.8320	0.000	1	109.8320	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:4:3:	4:3:3:	3:3:4:	N[5,6]-3:C[6]-4:N[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]N[6]H)(N[5]C[5]C)	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[6a]C[5])	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CCCH)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]N[6]H)(N[5]C[5]C){2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[6a]C[5]){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.1265	0.450	2	108.1265	0.203	2	108.1265	0.203	2	108.0872	0.070	4	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	3:4:3:	4:3:3:	3:3:4:	N[5,6]-3:Ge[6]-4:N[5]-3:	B[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6](N[5,6]B[6]C[5])(Ge[6]C[5,6]CH)(N[5]C[5]C)	N[5,6](B[6]N[5,6]C[6a]2)(C[5,6]Ge[6]N[5])(C[5]C[5]H)	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3)	C[5,6](N[5,6]B[6]C[5])(Ge[6]C[5,6]CH)(N[5]C[5]C){2|C<3>,2|H<1>,2|N<3>}	N[5,6](B[6]N[5,6]C[6a]2)(C[5,6]Ge[6]N[5])(C[5]C[5]H){2|C<4>,2|H<1>,6|C<3>}	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	108.0480	0.014	2	108.0480	0.000	2	108.0480	0.000	2	108.0872	0.070	4	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	4:3:3:	3:4:3:	3:3:4:	B[6]-4:N[5,6]-3:N[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6](B[6]C[6,6a]N[6]H)(N[5,6]C[5]C[6])(N[5]C[5]C)	N[5,6](C[5,6]B[6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H)	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CC[6a]HH)	C[5,6](B[6]C[6,6a]N[6]H)(N[5,6]C[5]C[6])(N[5]C[5]C){4|C<3>,4|H<1>}	N[5,6](C[5,6]B[6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	105.7450	0.000	1	105.7450	0.000	1	105.7450	0.000	1	105.7450	0.000	1	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5]	5:3:3:	3:4:3:	3:3:4:	In[6,6]-5:N[5,6]-3:N[5]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6](In[6,6]C[5,6]3Br)(N[5,6]B[6]C[5])(N[5]C[5]C)	N[5,6](C[5,6]In[6,6]N[5])(B[6]N[5,6]CC)(C[5]C[5]H)	N[5](C[5,6]In[6,6]N[5,6])(C[5]C[5]H)(CCHH)	C[5,6](In[6,6]C[5,6]3Br)(N[5,6]B[6]C[5])(N[5]C[5]C){2|C<4>,2|H<1>,6|N<3>}	N[5,6](C[5,6]In[6,6]N[5])(B[6]N[5,6]CC)(C[5]C[5]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6]In[6,6]N[5,6])(C[5]C[5]H)(CCHH){1|Br<1>,1|B<4>,1|H<1>,3|C<3>}	106.2458	0.924	4	106.2458	0.854	4	106.2458	0.854	4	106.2458	0.854	4	107.9526	5.253	95	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5]	N[5,6]	3:3:2:	3:3:3:	3:4:3:	N[5,6]-3:N[5]-3:Ge[6]-2:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ge[6]N[6])	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ge[6]N[6]){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	105.7020	0.000	1	105.7020	0.000	1	105.7020	0.000	1	105.7020	0.000	1	106.5100	3.852	21	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5]	N[5,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:B[6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5])	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	N[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5])(B[6]O[6]FF)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5]){1|H<1>,1|O<2>,2|F<1>,6|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5])(B[6]O[6]FF){6|C<3>}	108.7467	0.465	3	108.7467	0.216	3	108.7467	0.216	3	108.7670	0.146	4	106.5100	3.852	21	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5]	N[5,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(N[5]C[5,6a]C[6a])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2)	N[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	N[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6]){10|C<3>}	108.8280	0.000	1	108.8280	0.000	1	108.8280	0.000	1	108.7670	0.146	4	106.5100	3.852	21	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5]	N[5,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5])	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6])(C[5]C[6a]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5]){1|H<1>,1|O<2>,8|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6])(C[5]C[6a]C[5]){10|C<3>}	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	105.3929	1.233	11	106.5100	3.852	21	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5]	N[5,6]	3:3:3:	3:3:3:	3:4:3:	N[5,6]-3:Ge[6]-3:N[5]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(Ge[6]C[5,6]Cl)(N[5]C[6a]C[5])	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[5,6](N[5,6]C[5]C[6])(Ge[6]C[5,6]Cl)(N[5]C[6a]C[5]){2|C<3>,2|N<3>,4|H<1>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Cl<1>,1|H<1>,3|C<3>}	104.8020	0.000	1	104.8020	0.000	1	104.9364	0.092	5	105.3929	1.233	11	106.5100	3.852	21	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5]	N[5,6]	3:3:3:	3:3:3:	3:4:3:	N[5,6]-3:Ge[6]-3:N[5]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(Ge[6]C[5,6]Ga)(N[5]C[6a]C[5])	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[5,6](N[5,6]C[5]C[6])(Ge[6]C[5,6]Ga)(N[5]C[6a]C[5]){2|C<3>,2|N<3>,4|H<1>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Ga<4>,1|H<1>,3|C<3>,3|C<4>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Ga<4>,1|H<1>,3|C<3>}	104.8855	0.388	2	104.8855	0.151	2	104.9364	0.092	5	105.3929	1.233	11	106.5100	3.852	21	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5]	N[5,6]	3:3:3:	3:3:3:	3:4:3:	N[5,6]-3:Ge[6]-3:N[5]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(Ge[6]C[5,6]Se)(N[5]C[6a]C[5])	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[5,6](N[5,6]C[5]C[6])(Ge[6]C[5,6]Se)(N[5]C[6a]C[5]){2|C<3>,2|N<3>,4|H<1>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Se<2>,1|H<1>,3|C<3>,3|C<4>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Se<2>,1|H<1>,3|C<3>}	105.0545	0.407	2	105.0545	0.165	2	104.9364	0.092	5	105.3929	1.233	11	106.5100	3.852	21	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5]	N[5,6]	3:3:3:	3:3:3:	3:4:3:	N[5,6]-3:N[5]-3:Ge[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ge[6]C[5,6]N)	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ge[6]C[5,6]N){2|C<3>,2|N<3>,4|H<1>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|H<1>,1|N<2>,3|C<3>}	104.8755	0.006	2	104.8755	0.000	2	105.2086	0.120	5	105.3929	1.233	11	106.5100	3.852	21	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5]	N[5,6]	3:3:3:	3:3:3:	3:4:3:	N[5,6]-3:N[5]-3:Ge[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ge[6]N[6]Cl)	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ge[6]N[6]Cl){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,3|C<4>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|Cl<1>,1|C<3>,1|N<3>,3|H<1>}	105.5385	0.203	2	105.5385	0.041	2	105.2086	0.120	5	105.3929	1.233	11	106.5100	3.852	21	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5]	N[5,6]	3:3:3:	3:3:3:	3:4:3:	N[5,6]-3:N[5]-3:Ge[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ge[6]N[6]O)	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ge[6]N[6]O){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	105.2150	0.000	1	105.2150	0.000	1	105.2086	0.120	5	105.3929	1.233	11	106.5100	3.852	21	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5]	N[5,6]	3:3:3:	3:3:4:	3:4:3:	N[5,6]-3:N[5]-3:N[6]-3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6])	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6]){1|O<1>,1|S<1>,4|H<1>,5|C<3>}	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]O){2|H<1>,4|C<3>}	111.0560	0.000	1	111.0560	0.000	1	111.0560	0.000	1	111.0560	0.000	1	106.5100	3.852	21	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5]	N[5,6]	3:3:4:	3:3:3:	3:4:3:	N[5,6]-3:N[5]-3:B[6]-4:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(B[6]N[6]HH)	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(B[6]N[6]HH){2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H){1|N<4>,2|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|N<4>,5|H<1>}	105.8370	0.000	1	105.8370	0.000	1	105.8370	0.000	1	105.8370	0.000	1	106.5100	3.852	21	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5]	N[5,6]	3:3:4:	3:3:4:	3:4:4:	N[5,6]-3:N[5]-3:Ga[6]-4:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ga[6]O[6]CC)	N[5](C[5,6]N[5,6]Ga[6])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5,6](C[5,6]Ga[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ga[6]O[6]CC){1|C<4>,2|C<3>,6|H<1>}	N[5](C[5,6]N[5,6]Ga[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	N[5,6](C[5,6]Ga[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	108.8990	0.000	1	108.8990	0.000	1	108.8990	0.000	1	108.8990	0.000	1	106.5100	3.852	21	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5]	N[5,6]	3:4:3:	3:3:3:	3:4:3:	N[5,6]-3:Ge[6]-4:N[5]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(Ge[6]C[5,6]SS)(N[5]C[6a]C[5])	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[5,6](N[5,6]C[5]C[6])(Ge[6]C[5,6]SS)(N[5]C[6a]C[5]){2|C<3>,2|N<3>,4|H<1>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|S<1>,1|S<2>,3|C<3>,3|C<4>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|H<1>,1|S<1>,1|S<2>,3|C<3>}	105.7930	0.000	1	105.7930	0.000	1	105.7930	0.000	1	105.7930	0.000	1	106.5100	3.852	21	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5,6]	N[5]	N[5,6]	4:3:3:	3:3:3:	3:4:3:	Ge[6]-4:N[5,6]-3:N[5]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](Ge[6]C[5,6]Se2)(N[5,6]C[5]C[6])(N[5]C[6a]C[5])	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[5,6](Ge[6]C[5,6]Se2)(N[5,6]C[5]C[6])(N[5]C[6a]C[5]){2|C<3>,2|N<3>,4|H<1>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Se<1>,1|Se<2>,1|H<1>,3|C<3>,3|C<4>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Se<1>,1|Se<2>,1|H<1>,3|C<3>}	105.0340	0.000	1	105.0340	0.000	1	105.0340	0.000	1	105.0340	0.000	1	106.5100	3.852	21	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5,5]	3:3:1:	3:3:4:	3:3:4:	N[5,5]-3:N[5,5]-3:H-1:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](N[5,5]C[5,5]C[5])2(H)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]H)(C[5]C[5]CC)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]H)(C[5]C[5]CC)	C[5](N[5,5]C[5,5]C[5])2(H){2|O<2>,6|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]H)(C[5]C[5]CC){1|C<4>,1|O<2>,2|H<1>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]H)(C[5]C[5]CC){1|C<4>,1|O<2>,2|H<1>}	105.3600	0.274	2	105.3600	0.075	2	105.3973	0.042	3	105.3973	0.042	3	104.1255	3.526	17	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5,5]	3:3:1:	3:3:4:	3:3:4:	N[5,5]-3:N[5,5]-3:H-1:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](N[5,5]C[5,5]C[5])2(H)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]H)(C[5]C[5]CH)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]H)(C[5]C[5]CH)	C[5](N[5,5]C[5,5]C[5])2(H){2|H<1>,2|O<2>,4|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|H<1>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|H<1>}	105.4720	0.000	1	105.4720	0.000	1	105.3973	0.042	3	105.3973	0.042	3	104.1255	3.526	17	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5,5]	3:3:1:	3:4:3:	3:4:3:	N[5,5]-3:N[5,5]-3:H-1:	C[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5,5]-4:C[5]-3:	C[5](N[5,5]C[5,5]2)2(H)	N[5,5](C[5,5]C[5,5]O[5])(C[5,5]C[5]3)(C[5]N[5,5]H)	N[5,5](C[5,5]C[5,5]O[5])(C[5,5]C[5]3)(C[5]N[5,5]H)	C[5](N[5,5]C[5,5]2)2(H){2|O<2>,6|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5,5]C[5]3)(C[5]N[5,5]H){1|O<2>,3|C<4>,6|H<1>}	N[5,5](C[5,5]C[5,5]O[5])(C[5,5]C[5]3)(C[5]N[5,5]H){1|O<2>,3|C<4>,6|H<1>}	105.2450	0.000	1	105.2450	0.000	1	105.2450	0.000	1	105.8215	0.665	2	104.1255	3.526	17	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5,5]	3:3:1:	3:4:3:	3:4:3:	N[5,5]-3:N[5,5]-3:H-1:	C[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-3:C[5,6]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5,6])2(H)	N[5,5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[5]N[5,5]H)	N[5,5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[5]N[5,5]H)	C[5](N[5,5]C[5,5]C[5,6])2(H){2|O<2>,6|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[5]N[5,5]H){1|O<2>,4|C<4>,5|H<1>}	N[5,5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[5]N[5,5]H){1|O<2>,4|C<4>,5|H<1>}	106.3980	0.000	1	106.3980	0.000	1	106.3980	0.000	1	105.8215	0.665	2	104.1255	3.526	17	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5,5]	3:3:1:	4:3:3:	4:3:3:	N[5,5]-3:N[5,5]-3:H-1:	C[5,5]-4:C[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-3:C[5]-3:	C[5](N[5,5]C[5,5]2)2(H)	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,5]O[5])(C[5]N[5,5]H)	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,5]O[5])(C[5]N[5,5]H)	C[5](N[5,5]C[5,5]2)2(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,5]O[5])(C[5]N[5,5]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,5]O[5])(C[5]N[5,5]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	105.0170	0.000	1	105.0170	0.000	1	105.0170	0.000	1	105.0170	0.000	1	104.1255	3.526	17	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5,5]	3:3:1:	5:3:3:	3:3:3:	N[5,5]-3:N[5,5]-3:O-1:	Si[5,5]-5:C[5,6a]-3:C[5]-3:	N[5,5]-3:C[5]-3:C[5]-3:	C[5](N[5,5]C[5,6a]Si[5,5])(N[5,5]N[5,5]C[5])(O)	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]O)	N[5,5](N[5,5]Si[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]C)	C[5](N[5,5]C[5,6a]Si[5,5])(N[5,5]N[5,5]C[5])(O){1|C<4>,1|O<2>,6|C<3>}	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]O){1|H<1>,8|C<3>}	N[5,5](N[5,5]Si[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	104.1255	3.526	17	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5,5]	3:3:3:	3:3:4:	3:3:4:	N[5,5]-3:N[5,5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](N[5,5]C[5,5]C[5])2(C[6a]C[6a]2)	N[5,5](C[5,5]C[5,6a]C[5,5])(C[5]N[5,5]C[6a])(C[5]C[5,6a]HH)	N[5,5](C[5,5]C[5,6a]C[5,5])(C[5]N[5,5]C[6a])(C[5]C[5,6a]HH)	C[5](N[5,5]C[5,5]C[5])2(C[6a]C[6a]2){6|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5])(C[5]N[5,5]C[6a])(C[5]C[5,6a]HH){1|C<4>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,5])(C[5]N[5,5]C[6a])(C[5]C[5,6a]HH){1|C<4>,5|C<3>}	104.9340	0.000	1	104.9340	0.000	1	104.9340	0.000	1	104.3995	0.571	2	104.1255	3.526	17	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5,5]	3:3:3:	3:3:4:	3:3:4:	N[5,5]-3:N[5,5]-3:P-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](N[5,5]C[5,5]C[5])2(PC[6a]2)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]P)(C[5]C[5]CH)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]P)(C[5]C[5]CH)	C[5](N[5,5]C[5,5]C[5])2(PC[6a]2){2|H<1>,2|O<2>,4|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]P)(C[5]C[5]CH){1|C<4>,1|O<2>,2|H<1>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]P)(C[5]C[5]CH){1|C<4>,1|O<2>,2|H<1>}	103.8650	0.000	1	103.8650	0.000	1	103.8650	0.000	1	104.3995	0.571	2	104.1255	3.526	17	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5,5]	3:3:4:	3:3:4:	3:3:4:	N[5,5]-3:N[5,5]-3:B-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](N[5,5]C[5,5]C[5])2(BC[6]2Cl)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]B)(C[5]C[5]CH)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]B)(C[5]C[5]CH)	C[5](N[5,5]C[5,5]C[5])2(BC[6]2Cl){2|H<1>,2|O<2>,4|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]B)(C[5]C[5]CH){1|C<4>,1|O<2>,2|H<1>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]B)(C[5]C[5]CH){1|C<4>,1|O<2>,2|H<1>}	102.5480	0.000	1	102.5480	0.000	1	102.3290	0.096	2	102.4961	0.436	8	104.1255	3.526	17	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5,5]	3:3:4:	3:3:4:	3:3:4:	N[5,5]-3:N[5,5]-3:B-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](N[5,5]C[5,5]C[5])2(BH3)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]B)(C[5]C[5]CH)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]B)(C[5]C[5]CH)	C[5](N[5,5]C[5,5]C[5])2(BH3){2|H<1>,2|O<2>,4|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]B)(C[5]C[5]CH){1|C<4>,1|O<2>,2|H<1>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]B)(C[5]C[5]CH){1|C<4>,1|O<2>,2|H<1>}	102.1100	0.000	1	102.1100	0.000	1	102.3290	0.096	2	102.4961	0.436	8	104.1255	3.526	17	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5,5]	3:3:4:	3:3:4:	3:3:4:	N[5,5]-3:N[5,5]-3:B[6,6]-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](N[5,5]C[5,5]C[5])2(B[6,6]C[6,6]2H)	N[5,5](C[5,5]C[5,5]O[5])(C[5]B[6,6]N[5,5])(C[5]C[5]CH)	N[5,5](C[5,5]C[5,5]O[5])(C[5]B[6,6]N[5,5])(C[5]C[5]CH)	C[5](N[5,5]C[5,5]C[5])2(B[6,6]C[6,6]2H){2|O<2>,4|H<1>,8|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]B[6,6]N[5,5])(C[5]C[5]CH){1|O<2>,3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]B[6,6]N[5,5])(C[5]C[5]CH){1|O<2>,3|C<4>,3|H<1>}	101.6435	0.153	2	101.6435	0.024	2	101.6435	0.024	2	102.4961	0.436	8	104.1255	3.526	17	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5,5]	3:3:4:	3:3:4:	3:3:4:	N[5,5]-3:N[5,5]-3:Ga-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](N[5,5]C[5,5]C[5])2(GaBr3)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC)	C[5](N[5,5]C[5,5]C[5])2(GaBr3){2|O<2>,6|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC){1|C<4>,1|O<2>,2|H<1>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC){1|C<4>,1|O<2>,2|H<1>}	103.1380	0.000	1	103.1380	0.000	1	103.0060	0.127	4	102.4961	0.436	8	104.1255	3.526	17	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5,5]	3:3:4:	3:3:4:	3:3:4:	N[5,5]-3:N[5,5]-3:Ga-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](N[5,5]C[5,5]C[5])2(GaC[5]Cl2)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC)	C[5](N[5,5]C[5,5]C[5])2(GaC[5]Cl2){2|O<2>,6|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC){1|C<4>,1|O<2>,2|H<1>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC){1|C<4>,1|O<2>,2|H<1>}	102.8995	0.579	2	102.8995	0.335	2	103.0060	0.127	4	102.4961	0.436	8	104.1255	3.526	17	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5,5]	3:3:4:	3:3:4:	3:3:4:	N[5,5]-3:N[5,5]-3:Ga-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](N[5,5]C[5,5]C[5])2(GaI3)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC)	C[5](N[5,5]C[5,5]C[5])2(GaI3){2|O<2>,6|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC){1|C<4>,1|O<2>,2|H<1>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC){1|C<4>,1|O<2>,2|H<1>}	103.0870	0.000	1	103.0870	0.000	1	103.0060	0.127	4	102.4961	0.436	8	104.1255	3.526	17	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5]	3:3:1:	3:3:3:	4:3:3:	N[5,5]-3:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](N[5,5]C[5,6a]N[5,5])(N[5]C[6a]C[5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5](C[5]N[5,5]C[6a]2)(C[5]N[5,5]O)(C[6a]C[6a]2)	C[5](N[5,5]C[5,6a]N[5,5])(N[5]C[6a]C[5])(O){1|C<4>,6|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|H<1>,7|C<3>}	N[5](C[5]N[5,5]C[6a]2)(C[5]N[5,5]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	107.6200	0.000	1	107.6200	0.000	1	107.6200	0.000	1	107.6200	0.000	1	108.4060	10.004	22	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5]	3:3:1:	3:3:3:	4:3:4:	N[5,5]-3:N[5]-3:S-1:	N[5,5]-3:C[5]-3:C[5]-3:	B[5]-4:C[5]-3:C-4:	C[5](N[5,5]N[5,5]C[5])(N[5]B[5]C)(S)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]S)	N[5](B[5]N[5,5]C[6a]2)(C[5]N[5,5]S)(CH3)	C[5](N[5,5]N[5,5]C[5])(N[5]B[5]C)(S){1|C<4>,4|C<3>}	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]S){1|H<1>,2|C<3>,2|C<4>}	N[5](B[5]N[5,5]C[6a]2)(C[5]N[5,5]S)(CH3){6|C<3>}	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	108.4060	10.004	22	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5]	3:3:1:	3:4:3:	3:3:1:	N[5,5]-3:N[5]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]H)(H)	N[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]N[5]H)	N[5](C[5]C[5,5]H)(C[5]N[5,5]H)(H)	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]N[5]H){2|C<3>,2|H<1>}	N[5](C[5]C[5,5]H)(C[5]N[5,5]H)(H){1|C<3>,1|C<4>}	108.3990	0.000	1	108.3990	0.000	1	108.3990	0.000	1	108.3990	0.000	1	108.4060	10.004	22	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5]	3:3:1:	3:4:3:	3:3:2:	N[5,5]-3:N[5]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(H)	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]H)	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(H){1|H<1>,2|C<3>,3|C<4>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]H){1|C<3>,1|F<1>,3|H<1>}	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|F<1>}	105.2775	0.165	2	105.8003	0.383	4	105.8145	0.231	6	105.8145	0.231	6	108.4060	10.004	22	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5]	3:3:1:	3:4:3:	3:3:2:	N[5,5]-3:N[5]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(H)	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]H)	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(H){1|H<1>,2|C<3>,3|C<4>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]H){1|C<3>,4|H<1>}	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,4|C<4>}	106.3230	0.174	2	105.8003	0.383	4	105.8145	0.231	6	105.8145	0.231	6	108.4060	10.004	22	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5]	3:3:1:	3:4:3:	3:3:2:	N[5,5]-3:N[5]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(H)	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]H)	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(H){2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]H){1|C<3>,1|F<1>,3|H<1>}	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|F<1>}	105.8430	0.004	2	105.8430	0.000	2	105.8145	0.231	6	105.8145	0.231	6	108.4060	10.004	22	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5]	3:3:1:	3:4:3:	4:3:3:	N[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](N[5,5]C[5,6a]C[5,5])(N[5]C[6a]C[5])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H)	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(C[6a]C[6a]2)	C[5](N[5,5]C[5,6a]C[5,5])(N[5]C[6a]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H){3|C<3>,5|H<1>}	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(C[6a]C[6a]2){1|H<1>,3|C<3>,3|C<4>}	112.5590	0.000	1	112.5590	0.000	1	112.5590	0.000	1	112.5590	0.000	1	108.4060	10.004	22	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5]	3:3:1:	4:3:3:	3:3:1:	N[5,5]-3:N[5]-3:S-1:	C[5,5]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5]N[5])(N[5]C[5]H)(S)	N[5,5](C[5,5]C[5,5]C[5]O)(N[5]C[5,5]H)(C[5]N[5]S)	N[5](C[5]C[5,5]O)(C[5]N[5,5]S)(H)	C[5](N[5,5]C[5,5]N[5])(N[5]C[5]H)(S){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5,5](C[5,5]C[5,5]C[5]O)(N[5]C[5,5]H)(C[5]N[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5,5]S)(H){1|C<4>,1|N<3>,1|O<2>}	106.8335	0.431	2	106.8335	0.185	2	106.8335	0.185	2	106.8335	0.185	2	108.4060	10.004	22	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5,5]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]O[5])(C[5]N[5]H)	N[5](C[5]C[5,5]C)(C[5]N[5,5]H)(CH3)	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]O[5])(C[5]N[5]H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]C)(C[5]N[5,5]H)(CH3){1|C<4>,1|O<2>}	107.3130	0.000	1	107.3130	0.000	1	107.3130	0.000	1	107.3105	0.000	2	108.4060	10.004	22	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5,5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3)	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(C[5]N[5]O){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	107.3080	0.000	1	107.3080	0.000	1	107.3080	0.000	1	107.3105	0.000	2	108.4060	10.004	22	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5]	3:3:1:	4:4:3:	3:3:3:	N[5,5]-3:N[5]-3:O-1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5,6])(N[5]C[6a]C[5])(O)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(C[6a]C[6a]2)	C[5](N[5,5]C[5,5]C[5,6])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2C)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(C[6a]C[6a]2){2|C<3>,2|H<1>,3|C<4>}	107.0780	0.000	1	107.0780	0.000	1	107.0780	0.000	1	107.0780	0.000	1	108.4060	10.004	22	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5]	3:3:1:	4:4:3:	3:3:4:	N[5,5]-3:N[5]-3:O-1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5,5]C[5,5]C[5,6])(N[5]C[5]C)(O)	N[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[6a]C[5]2)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3)	C[5](N[5,5]C[5,5]C[5,6])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[6a]C[5]2)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3){1|C<3>,2|C<4>}	107.8320	0.000	1	107.8320	0.000	1	107.8320	0.000	1	107.4310	0.322	2	108.4060	10.004	22	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5]	3:3:1:	4:4:3:	3:3:4:	N[5,5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(S)	N[5,5](C[5,5]C[5]2H)(C[5]S[5]CH)(C[5]N[5]S)	N[5](C[5]C[5,5]O)(C[5]N[5,5]S)(CC[6a]HH)	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(S){1|O<1>,1|S<2>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]S[5]CH)(C[5]N[5]S){1|C<4>,1|O<1>,2|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5,5]S)(CC[6a]HH){1|H<1>,2|C<4>}	107.0300	0.000	1	107.0300	0.000	1	107.0300	0.000	1	107.4310	0.322	2	108.4060	10.004	22	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5]	3:3:1:	4:4:3:	4:3:3:	N[5,5]-3:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](N[5,5]C[5,5]2)(N[5]C[6a]C[5])(O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)	N[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(C[6a]C[6a]2)	C[5](N[5,5]C[5,5]2)(N[5]C[6a]C[5])(O){2|H<1>,3|C<4>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	N[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	108.4060	10.004	22	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5]	3:3:3:	4:3:3:	3:3:3:	N[5,5]-3:N[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:Ge[5]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2)	N[5,5](C[5,5]C[6a]Ge[5]N[5])(C[5]C[6a]N[5])(C[5]C[5]H)	N[5](C[5]N[5,5]C[6a])(Ge[5]C[5,5]I)(C[6a]C[6a]2)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2){1|I<1>,1|N<3>,3|H<1>,6|C<3>}	N[5,5](C[5,5]C[6a]Ge[5]N[5])(C[5]C[6a]N[5])(C[5]C[5]H){1|H<1>,1|I<1>,6|C<3>}	N[5](C[5]N[5,5]C[6a])(Ge[5]C[5,5]I)(C[6a]C[6a]2){1|N<3>,2|C<4>,6|C<3>}	117.1680	0.000	1	117.1680	0.000	1	117.1680	0.000	1	117.1680	0.000	1	108.4060	10.004	22	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5]	3:3:4:	3:4:3:	4:3:3:	N[5,5]-3:N[5]-3:C-4:	C[5,5]-3:C[5]-4:C[5]-3:	Ge[5]-4:C[5]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]Ge[5])(CC3)	N[5,5](C[5,5]Ge[5]N[5])(C[5]C[5]HH)(C[5]N[5]C)	N[5](Ge[5]C[5,5]Ir2)(C[5]N[5,5]C)(C[6a]C[6a]2)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]Ge[5])(CC3){2|Ir<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5,5](C[5,5]Ge[5]N[5])(C[5]C[5]HH)(C[5]N[5]C){2|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](Ge[5]C[5,5]Ir2)(C[5]N[5,5]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|C<4>}	113.0600	0.000	1	113.0600	0.000	1	112.9050	0.029	3	112.9050	0.029	3	108.4060	10.004	22	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,5]	N[5]	3:3:4:	3:4:3:	4:3:3:	N[5,5]-3:N[5]-3:C-4:	C[5,5]-3:C[5]-4:C[5]-3:	Ge[5]-4:C[5]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]Ge[5])(CC3)	N[5,5](C[5,5]Ge[5]N[5])(C[5]C[5]HH)(C[5]N[5]C)	N[5](Ge[5]C[5,5]Rh2)(C[5]N[5,5]C)(C[6a]C[6a]2)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]Ge[5])(CC3){1|Rh<4>,1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5,5](C[5,5]Ge[5]N[5])(C[5]C[5]HH)(C[5]N[5]C){1|Rh<4>,1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](Ge[5]C[5,5]Rh2)(C[5]N[5,5]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|C<4>}	112.8275	0.146	2	112.8275	0.021	2	112.9050	0.029	3	112.9050	0.029	3	108.4060	10.004	22	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5,6]	3:3:1:	3:3:4:	3:3:4:	N[5,6]-3:N[5,6]-3:Cl-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](N[5,6]C[5,6]C[6])2(Cl)	N[5,6](C[5,6]C[6,6a]C[5,6])(C[5]N[5,6]Cl)(C[6]C[6]CH)	N[5,6](C[5,6]C[6,6a]C[5,6])(C[5]N[5,6]Cl)(C[6]C[6]CH)	C[5](N[5,6]C[5,6]C[6])2(Cl){2|C<3>,2|H<1>,4|C<4>}	N[5,6](C[5,6]C[6,6a]C[5,6])(C[5]N[5,6]Cl)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,6])(C[5]N[5,6]Cl)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	109.5770	0.000	1	109.5770	0.000	1	109.5770	0.000	1	109.5770	0.000	1	109.0726	4.234	14	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5,6]	3:3:1:	4:3:4:	4:3:4:	N[5,6]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](N[5,6]C[5,6]C[6])2(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]CC)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]CC)	C[5](N[5,6]C[5,6]C[6])2(H){2|C<3>,2|H<1>,6|C<4>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	113.7410	0.000	1	113.7410	0.000	1	113.7155	0.001	2	109.0338	4.564	13	109.0726	4.234	14	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5,6]	3:3:1:	4:3:4:	4:3:4:	N[5,6]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](N[5,6]C[5,6]C[6])2(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]HH)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]HH)	C[5](N[5,6]C[5,6]C[6])2(H){2|C<3>,2|C<4>,6|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	113.6900	0.000	1	113.6900	0.000	1	113.7155	0.001	2	109.0338	4.564	13	109.0726	4.234	14	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5,6]	3:3:1:	4:3:4:	4:3:4:	N[5,6]-3:N[5,6]-3:O-1:	C[4,5,5,6]-4:C[5]-3:C[6]-4:	C[4,5,5,6]-4:C[5]-3:C[6]-4:	C[5](N[5,6]C[4,5,5,6]C[6])2(O)	N[5,6](C[4,5,5,6]C[4,5,5,6]N[5,6]C[4])(C[5]N[5,6]O)(C[6]O[6]HH)	N[5,6](C[4,5,5,6]C[4,5,5,6]N[5,6]C[4])(C[5]N[5,6]O)(C[6]O[6]HH)	C[5](N[5,6]C[4,5,5,6]C[6])2(O){2|C<4>,2|N<3>,2|O<2>,4|H<1>}	N[5,6](C[4,5,5,6]C[4,5,5,6]N[5,6]C[4])(C[5]N[5,6]O)(C[6]O[6]HH){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5,6](C[4,5,5,6]C[4,5,5,6]N[5,6]C[4])(C[5]N[5,6]O)(C[6]O[6]HH){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	108.5595	0.145	2	108.5595	0.021	2	108.5595	0.021	2	109.0338	4.564	13	109.0726	4.234	14	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5,6]	3:3:1:	4:3:4:	4:3:4:	N[5,6]-3:N[5,6]-3:O-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	C[5](N[5,6]C[5,5,6]C[6])2(O){2|C<3>,4|H<1>,4|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	108.3684	0.419	5	108.3684	0.176	5	108.0988	0.324	9	109.0338	4.564	13	109.0726	4.234	14	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5,6]	3:3:1:	4:3:4:	4:3:4:	N[5,6]-3:N[5,6]-3:O-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH)	C[5](N[5,6]C[5,5,6]C[6])2(O){2|C<3>,4|H<1>,4|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	107.9980	0.498	2	107.9980	0.248	2	108.0988	0.324	9	109.0338	4.564	13	109.0726	4.234	14	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5,6]	3:3:1:	4:3:4:	4:3:4:	N[5,6]-3:N[5,6]-3:O-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH)	C[5](N[5,6]C[5,5,6]C[6])2(O){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH){1|N<3>,2|C<4>,4|C<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH){1|N<3>,2|C<4>,4|C<3>}	107.5255	0.777	2	107.5255	0.604	2	108.0988	0.324	9	109.0338	4.564	13	109.0726	4.234	14	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:1:	3:3:3:	3:3:1:	N[5,6]-3:N[5]-3:S-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[6,6a]C[5,6])(N[5]C[5]H)(S)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6])(C[5]N[5]S)	N[5](C[5]C[5,6]C[6a])(C[5]N[5,6]S)(H)	C[5](N[5,6]C[6,6a]C[5,6])(N[5]C[5]H)(S){1|O<2>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6])(C[5]N[5]S){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]C[6a])(C[5]N[5,6]S)(H){1|O<2>,3|C<3>}	104.6340	0.000	1	104.6340	0.000	1	104.6340	0.000	1	104.6340	0.000	1	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:1:	3:4:3:	3:3:2:	N[5,6]-3:N[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5,6]C[5,6]C[6])(N[5]C[6a]N[5])(H)	N[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]CH)(C[5]N[5]H)	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[5](N[5,6]C[5,6]C[6])(N[5]C[6a]N[5])(H){1|H<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]CH)(C[5]N[5]H){2|H<1>,3|C<3>}	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]){3|C<3>,3|C<4>}	106.6030	0.000	1	106.6030	0.000	1	106.6030	0.000	1	106.6030	0.000	1	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:1:	3:4:3:	3:3:4:	N[5,6]-3:N[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(H)	N[5,6](C[5,6]B[6]C[5])(C[6]C[6]HH)(C[5]N[5]H)	N[5](C[5]C[5,6]H)(C[5]N[5,6]H)(CC3)	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(H){1|B<4>,1|C<4>,3|H<1>}	N[5,6](C[5,6]B[6]C[5])(C[6]C[6]HH)(C[5]N[5]H){1|O<2>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]H)(C[5]N[5,6]H)(CC3){1|B<4>,1|C<4>}	107.9600	0.000	1	107.9600	0.000	1	107.9600	0.000	1	107.9600	0.000	1	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:1:	4:3:3:	3:3:2:	N[5,6]-3:N[5]-3:H-1:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5,6]C[5,6,6]C[5,6])(N[5]C[6a]N[5])(H)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]N[5])(C[5]N[5]H)	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[5](N[5,6]C[5,6,6]C[5,6])(N[5]C[6a]N[5])(H){1|H<1>,2|C<3>,3|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]N[5])(C[5]N[5]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,4|C<4>}	106.6510	0.000	1	106.6510	0.000	1	106.6510	0.000	1	106.0678	2.206	4	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:1:	4:3:3:	3:3:2:	N[5,6]-3:N[5]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5,6]C[5,6]C[6])(N[5]C[6a]N[5])(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]H)	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[5](N[5,6]C[5,6]C[6])(N[5]C[6a]N[5])(H){1|H<1>,2|C<4>,3|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]H){1|O<2>,3|C<3>,4|H<1>}	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]){1|H<1>,2|C<3>,3|C<4>}	106.7520	0.000	1	106.8840	0.035	2	106.8840	0.035	2	106.0678	2.206	4	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:1:	4:3:3:	3:3:2:	N[5,6]-3:N[5]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5,6]C[5,6]C[6])(N[5]C[6a]N[5])(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]H)	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[5](N[5,6]C[5,6]C[6])(N[5]C[6a]N[5])(H){1|H<1>,2|C<4>,3|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]H){1|O<2>,3|C<3>,4|H<1>}	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	107.0160	0.000	1	106.8840	0.035	2	106.8840	0.035	2	106.0678	2.206	4	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:1:	4:3:3:	3:3:2:	N[5,6]-3:N[5]-3:Se-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5,6]C[5,6]2)(N[5]C[6a]N[5])(Se)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]Se)	N[5](C[5]N[5,6]Se)(C[6a]C[6a]2)(N[5]C[5,6])	C[5](N[5,6]C[5,6]2)(N[5]C[6a]N[5])(Se){1|H<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]Se){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]N[5,6]Se)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,4|C<4>}	103.8520	0.000	1	103.8520	0.000	1	103.8520	0.000	1	106.0678	2.206	4	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:1:	4:4:3:	3:3:4:	N[5,6]-3:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CC[6a]HH)	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CC[6a]HH){3|C<4>}	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	107.0515	0.267	2	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:1:	4:4:3:	3:3:4:	N[5,6]-3:N[5]-3:O-1:	C[6]-4:C[5,6]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CCHH)	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CCHH){1|H<1>,2|C<4>}	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	107.0515	0.267	2	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:1:	4:4:3:	4:3:1:	N[5,6]-3:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]H)(O)	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	N[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(H)	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]H)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(H){1|C<4>,1|H<1>,1|S<2>}	106.9600	0.000	1	106.9600	0.000	1	106.9600	0.000	1	108.2177	1.003	4	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:1:	4:4:3:	4:3:1:	N[5,6]-3:N[5]-3:S-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(S)	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S)	N[5](C[5,5]C[5,5,6]C[6a]N[5])(C[5]N[5,6]S)(H)	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(S){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	N[5](C[5,5]C[5,5,6]C[6a]N[5])(C[5]N[5,6]S)(H){1|C<4>,1|N<3>,4|C<3>}	108.6300	0.000	1	108.6370	0.450	3	108.6370	0.450	3	108.2177	1.003	4	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:1:	4:4:3:	4:3:1:	N[5,6]-3:N[5]-3:S-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(S)	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S)	N[5](C[5,5]C[5,5,6]C[6a]N[5])(C[5]N[5,6]S)(H)	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(S){2|C<3>,2|H<1>,3|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5](C[5,5]C[5,5,6]C[6a]N[5])(C[5]N[5,6]S)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	108.6405	0.948	2	108.6370	0.450	3	108.6370	0.450	3	108.2177	1.003	4	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:1:	4:4:3:	4:3:2:	N[5,6]-3:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:O-2:	C[5](N[5,6]C[5,6]C[6])(N[5]C[5,6]O)(O)	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HS)(C[5]N[5]O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(OC)	C[5](N[5,6]C[5,6]C[6])(N[5]C[5,6]O)(O){1|S<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HS)(C[5]N[5]O){1|C<4>,1|O<2>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(OC){2|C<4>,4|H<1>}	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:1:	4:4:3:	4:3:4:	N[5,6]-3:N[5]-3:O-1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[5]-3:C-4:	C[5](N[5,6]C[5,5,6,6]C[6])(N[5]C[5,5,6]C)(O)	N[5,6](C[5,5,6,6]C[5,5,6]N[5,6]C[6])(C[6]O[6]HH)(C[5]N[5]O)	N[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]N[5,6]O)(CC[6a]HH)	C[5](N[5,6]C[5,5,6,6]C[6])(N[5]C[5,5,6]C)(O){1|O<2>,2|C<4>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6,6]C[5,5,6]N[5,6]C[6])(C[6]O[6]HH)(C[5]N[5]O){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]N[5,6]O)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	108.0870	0.000	1	108.0870	0.000	1	108.0870	0.000	1	108.0354	0.422	8	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:1:	4:4:3:	4:3:4:	N[5,6]-3:N[5]-3:O-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O)	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O)	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(CC[6a]HH)	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	108.1760	0.000	1	108.1760	0.000	1	108.0280	0.491	7	108.0354	0.422	8	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:1:	4:4:3:	4:3:4:	N[5,6]-3:N[5]-3:O-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CN[5]HH)	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O){1|C<4>,2|N<3>,4|H<1>}	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(C[5]N[5]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	107.7428	0.561	4	107.7428	0.315	4	108.0280	0.491	7	108.0354	0.422	8	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:1:	4:4:3:	4:3:4:	N[5,6]-3:N[5]-3:O-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]N[6]HH)(C[5]N[5]O)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CHHO)	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O){3|N<3>,4|H<1>}	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]N[6]HH)(C[5]N[5]O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CHHO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	108.5245	1.078	2	108.5245	1.163	2	108.0280	0.491	7	108.0354	0.422	8	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:2:	3:3:2:	3:2:1:	N[5,6]-3:N[5]-3:N-2:	C[5,6]-3:C[5]-3:N[6]-2:	C[5]-3:N[5]-2:H-1:	C[5](N[5,6]C[5,6]N[6])(N[5]N[5]H)(NN)	N[5,6](C[5,6]N[5]N[6])(C[5]N[5]N)(N[6]C[6])	N[5](C[5]N[5,6]N)(N[5]C[5,6])(H)	C[5](N[5,6]C[5,6]N[6])(N[5]N[5]H)(NN){1|C<3>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[5]N[5]N)(N[6]C[6]){1|H<1>,2|N<3>}	N[5](C[5]N[5,6]N)(N[5]C[5,6])(H){2|N<2>}	103.4430	0.000	1	103.4430	0.000	1	103.4430	0.000	1	103.4430	0.000	1	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:2:	4:3:3:	3:3:2:	N[5,6]-3:N[5]-3:N-2:	C[6]-4:C[5,6]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5,6]C[5,6]C[6])(N[5]C[6a]N[5])(NN)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]N)	N[5](C[5]N[5,6]N)(C[6a]C[6a]2)(N[5]C[5,6])	C[5](N[5,6]C[5,6]C[6])(N[5]C[6a]N[5])(NN){1|H<1>,2|C<4>,3|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]N){1|N<3>,3|H<1>,4|C<3>}	N[5](C[5]N[5,6]N)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	104.1720	0.561	2	104.1720	0.315	2	104.1720	0.315	2	104.1720	0.315	2	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:3:	3:3:2:	3:2:1:	N[5,6]-3:N[5]-3:N-3:	C[5,6]-3:C[5]-3:N[6]-2:	C[5]-3:N[5]-2:H-1:	C[5](N[5,6]C[5,6]N[6])(N[5]N[5]H)(NHH)	N[5,6](C[5,6]N[5]N[6])(C[5]N[5]N)(N[6]C[6])	N[5](C[5]N[5,6]N)(N[5]C[5,6])(H)	C[5](N[5,6]C[5,6]N[6])(N[5]N[5]H)(NHH){1|C<3>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[5]N[5]N)(N[6]C[6]){1|H<1>,2|N<3>}	N[5](C[5]N[5,6]N)(N[5]C[5,6])(H){2|N<2>}	104.1530	0.000	1	104.1530	0.000	1	104.1530	0.000	1	104.1530	0.000	1	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:3:	3:3:4:	3:3:1:	N[5,6]-3:C[6a]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]HH)	N[5](C[5]N[5,6]C[6a])(C[5]C[5,6]C)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H){2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]N[5,6]C[6a])(C[5]C[5,6]C)(H){1|C<4>,3|C<3>}	107.0890	0.000	1	107.0890	0.000	1	107.0890	0.000	1	107.0890	0.000	1	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:3:	4:3:3:	3:3:2:	N[5,6]-3:N[5]-3:C-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5,6]C[5,6]2)(N[5]C[6a]N[5])(CCN)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]C)	N[5](C[5]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5,6])	C[5](N[5,6]C[5,6]2)(N[5]C[6a]N[5])(CCN){1|H<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5,6]){2|Br<1>,2|C<3>,2|C<4>}	103.3590	0.000	1	103.3590	0.000	1	103.3590	0.000	1	103.3590	0.000	1	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5,6]	N[5]	3:3:3:	4:4:3:	4:3:1:	N[5,6]-3:N[5]-3:N-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]H)(NHH)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]N)	N[5](C[5]C[5,6]HH)(C[5]N[5,6]N)(H)	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]H)(NHH){2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]N){3|C<4>,5|H<1>}	N[5](C[5]C[5,6]HH)(C[5]N[5,6]N)(H){1|H<1>,2|C<4>}	110.8380	0.000	1	110.8380	0.000	1	110.8380	0.000	1	110.8380	0.000	1	106.9018	3.705	29	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5,5]	3:3:1:	3:3:2:	3:4:3:	N[5,5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(H)	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]H)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(H){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|F<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]H){1|C<3>,4|H<1>}	105.2930	0.000	1	105.2930	0.000	1	105.9930	0.305	4	104.8502	3.329	6	106.2385	9.094	11	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5,5]	3:3:1:	3:3:2:	3:4:3:	N[5,5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(H)	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|F<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]H){1|C<3>,4|H<1>}	105.8670	0.000	1	106.2263	0.131	3	105.9930	0.305	4	104.8502	3.329	6	106.2385	9.094	11	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5,5]	3:3:1:	3:3:2:	3:4:3:	N[5,5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(H)	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]H){1|C<3>,4|H<1>}	106.4060	0.263	2	106.2263	0.131	3	105.9930	0.305	4	104.8502	3.329	6	106.2385	9.094	11	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5,5]	3:3:1:	3:3:2:	3:4:3:	N[5,5]-3:N[5]-3:Se-1:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(Se)	N[5](C[5]N[5,5]Se)(C[6a]C[6a]2)(N[5]C[5,5])	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]Se)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(Se){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]N[5,5]Se)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]Se){1|C<3>,4|H<1>}	102.7330	0.000	1	102.7330	0.000	1	102.5645	0.057	2	104.8502	3.329	6	106.2385	9.094	11	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5,5]	3:3:1:	3:3:2:	3:4:3:	N[5,5]-3:N[5]-3:Se-1:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(Se)	N[5](C[5]N[5,5]Se)(C[6a]C[6a]2)(N[5]C[5,5])	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]Se)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(Se){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]N[5,5]Se)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|F<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]Se){1|C<3>,4|H<1>}	102.3960	0.000	1	102.3960	0.000	1	102.5645	0.057	2	104.8502	3.329	6	106.2385	9.094	11	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5,5]	3:3:3:	3:4:3:	3:4:4:	N[5,5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5,5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	N[5](C[5]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	N[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,4|C<3>,7|H<1>}	N[5](C[5]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|H<1>,4|C<3>,4|C<4>}	N[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]C[5]HH){4|H<1>,5|C<3>}	111.7130	0.542	2	111.7130	0.293	2	111.7130	0.293	2	111.7130	0.293	2	106.2385	9.094	11	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5,5]	3:3:4:	3:3:2:	3:4:3:	N[5,5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-2:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(CC[6a]HO)	N[5](C[5]N[5,5]C)(C[6a]C[6a]2)(N[5]C[5,5])	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]N[5])(CC[6a]HO){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]N[5,5]C)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]C){1|C<3>,4|H<1>}	105.3653	0.320	3	105.3653	0.102	3	105.3653	0.102	3	105.3653	0.102	3	106.2385	9.094	11	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:1:	3:2:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:N[5]-2:H-1:	C[5](N[5]N[5]H)2(H)	N[5](C[5]N[5]H)(N[5]N[5])(H)	N[5](C[5]N[5]H)(N[5]N[5])(H)	C[5](N[5]N[5]H)2(H)	N[5](C[5]N[5]H)(N[5]N[5])(H){1|H<1>}	N[5](C[5]N[5]H)(N[5]N[5])(H){1|H<1>}	105.3720	0.000	1	105.3720	0.000	1	105.3720	0.000	1	105.3720	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]N[5]H)(N[5]C[5])(H)	N[5](C[5]N[5]H)2(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(H){1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(H){2|H<1>}	N[5](C[5]N[5]H)2(H){1|H<1>}	106.5582	1.074	30	106.5582	1.153	30	106.5582	1.153	30	106.3975	1.478	32	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:1:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	N[5](C[5]N[5]C)(C[5]N[5]S)(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(S){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|H<1>}	N[5](C[5]N[5]C)(C[5]N[5]S)(H){1|H<1>}	103.9570	0.000	1	103.9570	0.000	1	103.9875	0.002	2	106.3975	1.478	32	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:1:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	N[5](C[5]N[5]N)(C[5]N[5]S)(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(S){1|N<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|H<1>,1|N<3>}	N[5](C[5]N[5]N)(C[5]N[5]S)(H){1|H<1>}	104.0180	0.000	1	104.0180	0.000	1	103.9875	0.002	2	106.3975	1.478	32	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:1:	3:3:2:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[5]N)(N[5]N[5]H)(H)	N[5](C[5]N[5]H)(N[5]C[5])(H)	N[5](C[5]N[5]H)2(NC)	C[5](N[5]C[5]N)(N[5]N[5]H)(H){1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(H){1|H<1>,1|N<2>}	N[5](C[5]N[5]H)2(NC){1|H<1>}	107.3597	0.814	12	107.3597	0.663	12	107.2585	0.741	13	103.2981	4.395	63	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:1:	3:3:2:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[5]N)(N[5]N[5]H)(H)	N[5](C[5]N[5]H)(N[5]C[5])(H)	N[5](C[5]N[5]H)2(NN)	C[5](N[5]C[5]N)(N[5]N[5]H)(H){1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(H){1|H<1>,1|N<2>}	N[5](C[5]N[5]H)2(NN){1|H<1>}	106.0450	0.000	1	106.0450	0.000	1	107.2585	0.741	13	103.2981	4.395	63	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:1:	3:3:2:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	N[5](C[5]N[5]C)(C[5]N[5]S)(NC)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<2>}	N[5](C[5]N[5]C)(C[5]N[5]S)(NC){1|H<1>}	102.2873	0.364	47	102.2873	0.133	47	102.2684	0.136	50	103.2981	4.395	63	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:1:	3:3:2:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	N[5](C[5]N[5]H)(C[5]N[5]S)(NC)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|H<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|H<1>,1|N<2>}	N[5](C[5]N[5]H)(C[5]N[5]S)(NC){1|H<1>}	101.9730	0.375	3	101.9730	0.141	3	102.2684	0.136	50	103.2981	4.395	63	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:1:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(H)	N[5](C[5]N[5]H)(N[5]C[5])(H)	N[5](C[5]N[5]H)2(NHH)	C[5](N[5]C[5]N)(N[5]N[5]H)(H){1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(H){1|H<1>,1|N<3>}	N[5](C[5]N[5]H)2(NHH){1|H<1>}	106.7193	0.549	10	106.7193	0.302	10	106.7193	0.302	10	104.6093	3.771	23	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:1:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	N[5](C[5]N[5]C)(C[5]N[5]S)(NCH)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<3>}	N[5](C[5]N[5]C)(C[5]N[5]S)(NCH){1|H<1>}	102.2750	0.000	1	102.2750	0.000	1	102.9862	0.123	13	104.6093	3.771	23	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:1:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	N[5](C[5]N[5]C)(C[5]N[5]S)(NHH)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<3>}	N[5](C[5]N[5]C)(C[5]N[5]S)(NHH){1|H<1>}	103.0454	0.290	12	103.0454	0.084	12	102.9862	0.123	13	104.6093	3.771	23	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:3:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCC)	N[5](C[5]N[5]H)2(H)	C[5](N[5]C[5]H)(N[5]N[5]C)(H){1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCC){2|H<1>}	N[5](C[5]N[5]H)2(H){1|C<3>}	105.1770	0.000	1	105.1770	0.000	1	105.1770	0.000	1	106.1445	1.872	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:3:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:N-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]N)(H)	N[5](C[5]N[5]H)(N[5]C[5])(NHH)	N[5](C[5]N[5]H)2(H)	C[5](N[5]C[5]H)(N[5]N[5]N)(H){1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(NHH){2|H<1>}	N[5](C[5]N[5]H)2(H){1|N<3>}	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	106.1445	1.872	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:4:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	N[5](C[5]N[5]H)2(H)	C[5](N[5]C[5]H)(N[5]N[5]C)(H){1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){2|H<1>}	N[5](C[5]N[5]H)2(H){1|C<4>}	107.2620	0.439	4	107.2620	0.193	4	107.2348	0.148	5	107.2348	0.148	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:4:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	N[5](C[5]N[5]H)2(H)	C[5](N[5]C[5]H)(N[5]N[5]C)(H){1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CH3){2|H<1>}	N[5](C[5]N[5]H)2(H){1|C<4>}	107.1260	0.000	1	107.1260	0.000	1	107.2348	0.148	5	107.2348	0.148	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:4:	3:3:2:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CHHN)	N[5](C[5]N[5]C)(C[5]N[5]S)(NC)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(CHHN){1|C<4>,1|N<2>}	N[5](C[5]N[5]C)(C[5]N[5]S)(NC){1|C<4>}	102.2350	0.038	2	102.2350	0.001	2	102.5230	0.066	9	102.5230	0.066	9	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:4:	3:3:2:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(NC)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<4>,1|N<2>}	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(NC){4|C<4>}	102.6237	0.271	3	102.6237	0.073	3	102.5230	0.066	9	102.5230	0.066	9	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:4:	3:3:2:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	N[5](C[5]N[5]C)(C[5]N[5]S)(NC)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<4>,1|N<2>}	N[5](C[5]N[5]C)(C[5]N[5]S)(NC){1|C<4>}	102.5915	0.237	4	102.5915	0.056	4	102.5230	0.066	9	102.5230	0.066	9	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:4:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	N[5](C[5]N[5]H)2(NHH)	C[5](N[5]C[5]N)(N[5]N[5]C)(H){1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	N[5](C[5]N[5]H)2(NHH){1|C<4>}	106.5310	0.263	4	106.5310	0.069	4	106.7021	0.253	9	105.6057	4.121	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:4:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	N[5](C[5]N[5]H)2(NHH)	C[5](N[5]C[5]N)(N[5]N[5]C)(H){1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	N[5](C[5]N[5]H)2(NHH){1|C<4>}	106.8390	0.633	5	106.8390	0.401	5	106.7021	0.253	9	105.6057	4.121	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:4:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CCHH)	N[5](C[5]N[5]C)(C[5]N[5]S)(NHH)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(CCHH){1|C<4>,1|N<3>}	N[5](C[5]N[5]C)(C[5]N[5]S)(NHH){1|C<4>}	102.1830	0.000	1	102.1830	0.000	1	102.3163	0.014	3	105.6057	4.121	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:4:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CH3)	N[5](C[5]N[5]H)(C[5]N[5]S)(NCH)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|H<1>}	N[5](C[5]N[5]S)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	N[5](C[5]N[5]H)(C[5]N[5]S)(NCH){1|C<4>}	102.3830	0.020	2	102.3830	0.000	2	102.3163	0.014	3	105.6057	4.121	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-2:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]N[5]H)(C[5]C[5])(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){1|H<1>}	N[5](C[5]N[5]H)(C[5]C[5])(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>}	109.2320	0.000	1	109.2320	0.000	1	109.2320	0.000	1	106.6284	1.867	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	N[5](C[5]N[5]H)2(CC[6a]HH)	C[5](N[5]C[5]C)(N[5]N[5]C)(H){1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|C<4>,1|H<1>}	N[5](C[5]N[5]H)2(CC[6a]HH){1|C<4>}	107.5450	0.000	1	107.5450	0.000	1	107.2856	0.402	7	106.6284	1.867	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CC[5]HH)	N[5](C[5]N[5]H)2(CH3)	C[5](N[5]C[5]C)(N[5]N[5]C)(H){1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CC[5]HH){1|C<4>,1|H<1>}	N[5](C[5]N[5]H)2(CH3){1|C<4>}	107.3137	0.861	4	107.3137	0.741	4	107.2856	0.402	7	106.6284	1.867	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CN[5]HH)	N[5](C[5]N[5]H)2(CH3)	C[5](N[5]C[5]C)(N[5]N[5]C)(H){1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]N[5]H)2(CH3){1|C<4>}	107.0995	0.221	2	107.0995	0.049	2	107.2856	0.402	7	106.6284	1.867	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]N[5]B)(S)	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]2H)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]C)(N[5]N[5]B)(S){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]2H){2|C<4>}	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|B<4>}	105.4278	0.826	6	105.4278	0.682	6	105.4278	0.682	6	106.6284	1.867	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:4:	4:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-4:C[5]-3:C[5]-3:	C[5](N[5]C[5]2)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	N[5](C[5]C[5]2Fe)(C[5]N[5]H)2	C[5](N[5]C[5]2)(N[5]N[5]C)(H){1|Fe<10>,1|H<1>,2|C<4>}	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]2Fe)(C[5]N[5]H)2{2|H<1>,3|C<4>}	106.5870	0.000	1	106.5870	0.000	1	106.6790	0.017	2	106.6790	0.017	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:2:4:	4:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-4:C[5]-3:C[5]-3:	C[5](N[5]C[5]2)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	N[5](C[5]C[5]2Fe)(C[5]N[5]H)2	C[5](N[5]C[5]2)(N[5]N[5]C)(H){1|Fe<10>,1|H<1>,2|C<4>}	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]2Fe)(C[5]N[5]H)2{2|H<1>,3|C<4>}	106.7710	0.000	1	106.7710	0.000	1	106.6790	0.017	2	106.6790	0.017	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(S)	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(H){1|C<3>,1|H<1>,1|O<2>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|H<1>}	104.1590	0.000	1	104.1590	0.000	1	103.8320	0.115	3	103.8320	0.115	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(H){1|H<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|H<1>}	103.6685	0.264	2	103.6685	0.070	2	103.8320	0.115	3	103.8320	0.115	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:2:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5](N[5]C[5]H)(N[5]N[5]C)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(H)	N[5](C[5]N[5]S)(N[5]C[5])(CCHH)	C[5](N[5]C[5]H)(N[5]N[5]C)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(H){1|C<4>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(CCHH){1|C<3>,1|H<1>}	105.2860	0.000	1	105.2860	0.000	1	105.2860	0.000	1	105.2860	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(Cl)	N[5](C[5]N[5]Cl)(C[5]C[5]H)(H)	N[5](C[5]N[5]Cl)(C[5]C[5]H)(H)	C[5](N[5]C[5]H)2(Cl){2|H<1>}	N[5](C[5]N[5]Cl)(C[5]C[5]H)(H){2|H<1>}	N[5](C[5]N[5]Cl)(C[5]C[5]H)(H){2|H<1>}	109.1240	0.000	1	109.1240	0.000	1	109.1240	0.000	1	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5]-3:H-1:	C[5](N[5]C[5,5a]H)2(H)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]H)(H)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]H)(H)	C[5](N[5]C[5,5a]H)2(H){2|C<3>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	110.1160	0.167	2	110.1160	0.028	2	110.1160	0.028	2	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]H)2(H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5,6]H)2(H){2|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|C<2>,1|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	110.1550	0.000	1	110.1550	0.000	1	110.1550	0.000	1	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:Cl-1:	C[5](N[5]C[5,6a]Cl)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(Cl)	C[5](N[5]C[5,6a]Cl)(N[5]C[5,6a]H)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Cl<1>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(Cl){2|C<3>,2|H<1>}	112.6650	0.000	1	112.6650	0.000	1	112.6650	0.000	1	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5](N[5]C[5,6a]H)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	110.2954	0.958	89	110.2954	0.918	89	110.2177	0.786	121	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	109.8580	0.622	12	110.0014	0.372	32	110.2177	0.786	121	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<2>,1|N<3>,1|S<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	109.7550	0.000	1	110.0014	0.372	32	110.2177	0.786	121	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<2>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	110.1345	0.688	2	110.0014	0.372	32	110.2177	0.786	121	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<3>,2|N<2>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	110.7645	0.524	4	110.0014	0.372	32	110.2177	0.786	121	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<3>,2|N<2>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	110.1930	0.000	1	110.0014	0.372	32	110.2177	0.786	121	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.8453	0.657	7	110.0014	0.372	32	110.2177	0.786	121	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5](N[5]C[5,6a]H)2(H){1|C<3>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	109.9112	0.347	5	110.0014	0.372	32	110.2177	0.786	121	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:D-1:	C[5]-3:C[5]-3:D-1:	C[5](N[5]C[5]D)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(D)	N[5](C[5]C[5]H)(C[5]N[5]H)(D)	C[5](N[5]C[5]D)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(D){1|D<1>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(D){1|D<1>,1|H<1>}	108.7260	0.000	1	108.7260	0.000	1	108.7260	0.000	1	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(H)	N[5](C[5]C[5]2)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]H)2(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]2)(C[5]N[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	108.1460	0.000	1	108.1460	0.000	1	108.3305	1.222	368	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]H)2(H){2|C<3>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	108.1230	0.000	1	108.1022	0.033	4	108.3305	1.222	368	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]H)2(H){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	108.0953	0.222	3	108.1022	0.033	4	108.3305	1.222	368	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	N[5](C[5]C[5]N)(C[5]N[5]H)(H)	C[5](N[5]C[5]H)2(H){1|C<3>,1|N<3>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|H<1>,1|N<3>}	N[5](C[5]C[5]N)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	108.4237	1.373	3	108.4237	1.884	3	108.3305	1.222	368	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(H)	N[5](C[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]C[5]N)(C[5]N[5]H)(H)	C[5](N[5]C[5]H)2(H){1|C<3>,1|N<2>}	N[5](C[5]C[5]C[6])(C[5]N[5]H)(H){1|H<1>,1|N<2>,2|N<3>}	N[5](C[5]C[5]N)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	108.3030	0.000	1	108.6150	0.087	4	108.3305	1.222	368	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(H)	N[5](C[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]C[5]N)(C[5]N[5]H)(H)	C[5](N[5]C[5]H)2(H){1|C<3>,1|N<3>}	N[5](C[5]C[5]C[6])(C[5]N[5]H)(H){1|H<1>,3|N<3>}	N[5](C[5]C[5]N)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	108.7190	0.257	3	108.6150	0.087	4	108.3305	1.222	368	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]Br)(C[5]N[5]H)(H)	C[5](N[5]C[5]H)2(H){1|Br<1>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Br<1>,1|H<1>}	N[5](C[5]C[5]Br)(C[5]N[5]H)(H){2|H<1>}	107.9730	0.000	1	107.9730	0.000	1	108.3305	1.222	368	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]H)2(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){2|H<1>}	108.4103	0.482	3	108.3826	0.461	119	108.3305	1.222	368	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]H)2(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){2|H<1>}	108.3819	0.684	116	108.3826	0.461	119	108.3305	1.222	368	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]H)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){2|H<1>}	108.2881	1.277	231	108.2881	1.632	231	108.3305	1.222	368	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(H)	N[5](C[5]C[5]I)(C[5]N[5]H)(H)	N[5](C[5]C[5]I)(C[5]N[5]H)(H)	C[5](N[5]C[5]H)2(H){2|I<1>}	N[5](C[5]C[5]I)(C[5]N[5]H)(H){1|H<1>,1|I<1>}	N[5](C[5]C[5]I)(C[5]N[5]H)(H){1|H<1>,1|I<1>}	109.1290	0.000	1	109.1290	0.000	1	108.3305	1.222	368	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(H)	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]H)2(H){1|C<3>,1|H<1>}	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	109.5287	1.984	3	109.5287	3.937	3	108.3305	1.222	368	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(H)	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H)	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]H)2(H){2|C<3>}	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	107.5730	0.000	1	107.5730	0.000	1	108.3305	1.222	368	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]H)2(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	N[5](C[5]N[5]H)2(H){1|C<4>,1|H<1>}	105.8485	1.682	2	105.8485	2.830	2	105.8485	2.830	2	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(O)	N[5](C[5]C[5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5]H)2(O){1|C<3>,1|O<1>}	N[5](C[5]C[5]C)(C[5]N[5]O)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<3>,1|H<1>}	106.8353	0.209	4	106.8353	0.044	4	106.8353	0.044	4	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(O)	N[5](C[5]N[5]H)(C[5]N[5]O)(H)	N[5](N[5]C[5]Co)(C[5]N[5]O)(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(O){1|Co<6>,1|H<1>}	N[5](C[5]N[5]H)(C[5]N[5]O)(H){1|Co<6>,1|H<1>}	N[5](N[5]C[5]Co)(C[5]N[5]O)(H){2|H<1>}	103.6890	0.000	1	103.6890	0.000	1	103.6890	0.000	1	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5](N[5]C[5,6a]H)2(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	105.9726	1.629	5	105.9726	2.654	5	105.9726	2.654	5	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(S)	N[5](C[5]C[6a]C[5])(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	C[5](N[5]C[5]H)2(S){1|C<3>,1|H<1>}	N[5](C[5]C[6a]C[5])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<3>,1|H<1>}	105.4805	0.417	4	105.4805	0.174	4	105.4805	0.174	4	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:S-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]H)2(S)	N[5](N[5]C[6a]N[5])(C[5]N[5]S)(H)	N[5](N[5]C[6a]N[5])(C[5]N[5]S)(H)	C[5](N[5]N[5]H)2(S){2|C<3>}	N[5](N[5]C[6a]N[5])(C[5]N[5]S)(H){1|H<1>,3|C<3>}	N[5](N[5]C[6a]N[5])(C[5]N[5]S)(H){1|H<1>,3|C<3>}	108.9470	0.000	1	108.9470	0.000	1	108.9470	0.000	1	108.7233	2.039	512	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:2:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5](N[5]C[5]H)(N[5]C[5]O)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(OH)	C[5](N[5]C[5]H)(N[5]C[5]O)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|H<1>,1|O<2>}	N[5](C[5]C[5]H)(C[5]N[5]H)(OH){2|H<1>}	106.4225	0.211	2	106.4225	0.045	2	106.4225	0.045	2	106.4225	0.045	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC)	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC){2|H<1>}	108.5660	0.000	1	108.5660	0.000	1	104.0857	50.594	3	104.8877	22.724	6	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){2|H<1>}	107.8070	0.000	1	107.8070	0.000	1	104.0857	50.594	3	104.8877	22.724	6	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CHH){2|H<1>}	95.8841	0.000	1	95.8841	0.000	1	104.0857	50.594	3	104.8877	22.724	6	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]H)(N[5]C[5]N)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(NHH)	C[5](N[5]C[5]H)(N[5]C[5]N)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(NHH){2|H<1>}	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	104.8877	22.724	6	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH){2|H<1>}	105.3250	0.000	1	105.3250	0.000	1	104.5755	1.124	2	104.8877	22.724	6	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(COO)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(COO){2|H<1>}	103.8260	0.000	1	103.8260	0.000	1	104.5755	1.124	2	104.8877	22.724	6	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){2|C<3>,2|H<1>}	109.6057	1.123	3	109.6057	1.261	3	109.8068	0.597	13	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	109.8024	0.806	7	109.8024	0.650	7	109.8068	0.597	13	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|H<1>,2|C<3>}	110.3570	0.000	1	110.3570	0.000	1	109.8068	0.597	13	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO){1|H<1>,2|C<3>}	109.8485	0.565	2	109.8485	0.319	2	109.8068	0.597	13	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[5]B)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BCl3)	C[5](N[5]C[5]B)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|B<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BCl3){2|H<1>}	108.7660	0.000	1	108.7660	0.000	1	108.8320	0.009	2	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[5]B)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5a]3)	C[5](N[5]C[5]B)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|B<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5a]3){2|H<1>}	108.8980	0.000	1	108.8980	0.000	1	108.8320	0.009	2	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){2|H<1>}	108.8650	0.000	1	108.8650	0.000	1	108.0992	4.523	153	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){2|H<1>}	109.2060	0.144	4	109.2060	0.021	4	108.0992	4.523	153	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	108.0341	1.680	107	108.0341	2.824	107	108.0992	4.523	153	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){2|H<1>}	111.7585	4.962	2	111.7585	24.619	2	108.0992	4.523	153	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){2|H<1>}	108.6900	0.134	2	108.6900	0.018	2	108.0992	4.523	153	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){2|H<1>}	107.9143	3.066	36	107.9143	9.398	36	108.0992	4.523	153	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CPtCH)	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CPtCH){2|H<1>}	108.0240	0.000	1	108.0240	0.000	1	108.0992	4.523	153	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:S-4:	C[5](N[5]C[5]H)(N[5]C[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(SNOO)	C[5](N[5]C[5]H)(N[5]C[5]S)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|H<1>,1|S<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(SNOO){2|H<1>}	107.4640	0.042	2	107.4640	0.002	2	107.4640	0.002	2	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Si-4:	C[5](N[5]C[5]Si)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(SiC3)	C[5](N[5]C[5]Si)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Si<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(SiC3){2|H<1>}	109.6820	0.000	1	109.6820	0.000	1	109.6820	0.000	1	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]N[5]H)(H)	N[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]N[5]H)2(CC[6a]HH)	C[5](N[5]C[5]C)(N[5]N[5]H)(H){2|H<1>}	N[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]N[5]H)2(CC[6a]HH){2|H<1>}	107.5380	0.856	2	107.5380	0.732	2	107.5380	0.732	2	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3){2|C<3>,2|H<1>}	107.5050	0.000	1	107.5050	0.000	1	107.5050	0.000	1	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:Si-4:	C[5](N[5]C[5,6a]Si)(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3)	C[5](N[5]C[5,6a]Si)(N[5]C[5,6a]H)(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Si<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3){2|C<3>,2|H<1>}	107.8500	0.021	2	107.8500	0.000	2	107.8500	0.000	2	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){2|H<1>}	105.6955	0.148	2	105.6955	0.022	2	105.5230	0.057	4	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	105.3505	0.173	2	105.3505	0.030	2	105.5230	0.057	4	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(Se){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){2|C<3>,2|H<1>}	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(Se)	N[5](C[5]N[5]Se)(C[5]C[5]H)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(Se){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){2|H<1>}	105.3845	0.234	2	105.3845	0.055	2	105.3845	0.055	2	108.1276	4.291	183	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	4:3:3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCO)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCO){1|H<1>,1|O<1>}	105.6633	0.643	4	105.6633	0.414	4	105.6633	0.414	4	105.6633	0.414	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:2:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-2:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC){1|H<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|N<2>}	102.4149	0.422	13	102.4149	0.178	13	102.4149	0.178	13	102.3759	0.186	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:2:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[6a]N[5])(N[5]N[5]H)(S)	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	N[5](C[5]N[5]S)(N[5]N[5])(H)	C[5](N[5]C[6a]N[5])(N[5]N[5]H)(S){2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){1|F<1>,2|C<3>,2|H<1>}	N[5](C[5]N[5]S)(N[5]N[5])(H){1|C<3>}	101.8680	0.000	1	101.8680	0.000	1	101.8680	0.000	1	102.3759	0.186	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-2:	C[5]-3:N[5]-2:C-4:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC){1|C<4>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|N<2>}	102.7605	0.073	2	102.7605	0.005	2	102.7605	0.005	2	102.9937	0.166	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:2:	3:2:4:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:B-4:	C[5](N[5]C[6a]N[5])(N[5]N[5]B)(S)	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	N[5](C[5]N[5]S)(N[5]N[5])(BC[5]HH)	C[5](N[5]C[6a]N[5])(N[5]N[5]B)(S){2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){1|B<4>,2|C<3>,2|H<1>}	N[5](C[5]N[5]S)(N[5]N[5])(BC[5]HH){1|C<3>}	103.4600	0.000	1	103.4600	0.000	1	103.4600	0.000	1	102.9937	0.166	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:O-2:	C[5](N[5]C[5]O)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(OC)	N[5](C[5]C[5]H)(C[5]N[5]H)(OC)	C[5](N[5]C[5]O)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(OC){1|H<1>,1|O<2>}	N[5](C[5]C[5]H)(C[5]N[5]H)(OC){1|H<1>,1|O<2>}	104.4520	0.000	1	104.4520	0.000	1	104.4520	0.000	1	104.4520	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C[6]-3:	C[5](N[5]C[6a]N[5])(N[5]C[5]C[6])(H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	N[5](C[5]N[5]H)2(C[6]C[6]2)	C[5](N[5]C[6a]N[5])(N[5]C[5]C[6])(H){1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	N[5](C[5]N[5]H)2(C[6]C[6]2){1|H<1>,1|O<1>,3|C<3>}	107.2850	0.000	1	107.2850	0.000	1	107.2850	0.000	1	107.2224	0.035	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	N[5](C[6a]C[6a]2)(C[5]N[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(H){1|N<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(C[5]N[5]N){2|H<1>,3|C<3>}	107.2043	0.258	3	107.2043	0.067	3	107.2067	0.044	4	107.2224	0.035	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(H){1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|H<1>,1|O<2>,3|C<3>}	107.2140	0.000	1	107.2140	0.000	1	107.2067	0.044	4	107.2224	0.035	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]N[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	N[5](C[5]N[5]C)(C[5]N[5]H)(CCCH)	C[5](N[5]C[6a]N[5])(N[5]C[5]C)(H){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){2|C<3>,4|C<4>}	N[5](C[5]N[5]C)(C[5]N[5]H)(CCCH){1|C<3>}	107.4290	0.808	2	107.4290	0.652	2	107.4290	0.652	2	106.3933	3.544	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5a]N[5])(N[5]C[5]C)(Se)	N[5](C[5a]C[5a]2)(C[5]N[5]Se)(N[5]C[5])	N[5](C[5]N[5]Se)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5a]N[5])(N[5]C[5]C)(Se){1|H<1>,2|C<3>}	N[5](C[5a]C[5a]2)(C[5]N[5]Se)(N[5]C[5]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5]N[5]Se)(C[5]N[5]H)(CC[6a]HH){1|C<3>}	104.3220	0.000	1	104.3220	0.000	1	104.3220	0.000	1	106.3933	3.544	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]N)(N[5]N[5]H)(H)	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH)	N[5](C[5]N[5]H)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5]H)(H){1|N<3>}	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH){1|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(H){2|N<3>}	106.7180	0.376	2	106.7180	0.142	2	106.7180	0.142	2	103.4478	0.686	46	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]C[6]N[5])(C[5]N[5]S)(NHH)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6]N[5])(C[5]N[5]S)(NHH){1|H<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|N<3>}	103.2570	0.123	2	103.2570	0.015	2	102.9758	0.388	10	103.4478	0.686	46	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NCH)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NCH){1|H<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|N<3>}	101.4580	0.000	1	101.4580	0.000	1	102.9758	0.388	10	103.4478	0.686	46	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH){1|H<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|N<3>}	103.1120	0.421	6	103.1120	0.177	6	102.9758	0.388	10	103.4478	0.686	46	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]N[5a]N[5])(C[5]N[5]S)(NHH)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|N<3>}	N[5](C[5]N[5a]N[5])(C[5]N[5]S)(NHH){1|C<3>,1|H<1>,1|N<2>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|N<3>}	103.1140	0.000	1	103.1140	0.000	1	102.9758	0.388	10	103.4478	0.686	46	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){1|C<4>,2|C<3>}	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	104.0900	0.000	1	103.9720	0.028	2	103.5085	0.089	17	103.4478	0.686	46	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){1|C<4>,2|C<3>}	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	103.8540	0.000	1	103.9720	0.028	2	103.5085	0.089	17	103.4478	0.686	46	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){3|C<3>}	N[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<3>}	103.4347	0.208	3	103.4347	0.043	3	103.5085	0.089	17	103.4478	0.686	46	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|N<2>,3|C<3>,3|H<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<3>}	103.6935	0.050	2	103.4497	0.074	12	103.5085	0.089	17	103.4478	0.686	46	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<3>}	103.6360	0.000	1	103.4497	0.074	12	103.5085	0.089	17	103.4478	0.686	46	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){3|H<1>,4|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<3>}	103.3748	0.276	9	103.4497	0.074	12	103.5085	0.089	17	103.4478	0.686	46	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S){1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	103.1430	0.223	3	103.2802	0.105	17	103.2802	0.105	17	103.4478	0.686	46	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S){2|C<3>,3|H<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	103.3096	0.340	14	103.2802	0.105	17	103.2802	0.105	17	103.4478	0.686	46	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5]N[5]H)(N[5]C[5])(CC3)	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H){3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,4|C<3>}	N[5](C[5]N[5]H)(N[5]C[5])(CC3){2|C<3>}	107.3830	0.000	1	107.3830	0.000	1	107.3830	0.000	1	106.0216	5.530	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:B-4:	C[5](N[5]C[6a]C[5])(N[5]N[5]B)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	N[5](C[5]N[5]H)(N[5]C[5])(BC[6a]3)	C[5](N[5]C[6a]C[5])(N[5]N[5]B)(H){1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|B<4>,2|C<3>,2|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(BC[6a]3){1|C<3>,1|H<1>}	109.1010	0.000	1	109.1010	0.000	1	109.1010	0.000	1	106.0216	5.530	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCCH)	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCCH){1|C<3>,1|H<1>}	107.5163	0.252	3	107.5163	0.063	3	107.5660	0.055	5	106.0216	5.530	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|C<3>,1|H<1>}	107.8330	0.000	1	107.8330	0.000	1	107.5660	0.055	5	106.0216	5.530	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|C<3>,1|H<1>}	107.4480	0.000	1	107.4480	0.000	1	107.5660	0.055	5	106.0216	5.530	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:4:	N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5](N[5]C[5]N[5])(N[5]N[5]C)(H)	N[5](N[5]C[5,6a]C[5])(C[5]N[5]H)2	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	C[5](N[5]C[5]N[5])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	N[5](N[5]C[5,6a]C[5])(C[5]N[5]H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	106.0540	0.000	1	106.0540	0.000	1	106.0540	0.000	1	106.0216	5.530	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:2:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(S)	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(S){1|C<4>,2|C<3>}	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|C<4>}	102.9728	0.232	4	102.9728	0.054	4	102.9728	0.054	4	106.0216	5.530	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(N[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(N[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	N[5](C[6]C[6]N[6])(C[5]C[5]H)(C[5]N[5]H){2|C<3>,4|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	109.6340	0.000	1	109.6340	0.000	1	109.6340	0.000	1	107.8176	2.099	51	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	108.2070	0.000	1	108.4336	0.640	35	108.3083	0.693	42	107.8176	2.099	51	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){2|C<3>,4|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	108.4601	0.815	33	108.4336	0.640	35	108.3083	0.693	42	107.8176	2.099	51	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	107.7850	0.000	1	108.4336	0.640	35	108.3083	0.693	42	107.8176	2.099	51	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(H){1|C<3>,1|N<2>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	107.6820	0.746	7	107.6820	0.556	7	108.3083	0.693	42	107.8176	2.099	51	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]S)	N[5](C[5]C[6a]C[5])(C[5]N[5]S)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S){1|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]S){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[5]N[5]S)(H){1|C<4>,3|C<3>}	104.6810	0.000	1	104.6810	0.000	1	104.9610	0.018	7	107.8176	2.099	51	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<3>,1|H<1>}	105.0800	0.000	2	105.0077	0.003	6	104.9610	0.018	7	107.8176	2.099	51	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){2|C<3>,4|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<3>,1|H<1>}	104.9790	0.000	2	105.0077	0.003	6	104.9610	0.018	7	107.8176	2.099	51	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){2|Cl<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<3>,1|H<1>}	104.9640	0.000	2	105.0077	0.003	6	104.9610	0.018	7	107.8176	2.099	51	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:N[5]-3:Se-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(Se)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(Se){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.3860	0.000	1	105.3860	0.000	1	105.3860	0.000	1	107.8176	2.099	51	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:2:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[6a]C[5])(N[5]C[5]N)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(NC)	C[5](N[5]C[6a]C[5])(N[5]C[5]N)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(NC){1|C<3>,1|H<1>}	108.5377	0.923	3	108.5377	0.852	3	108.5377	0.852	3	108.5377	0.852	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Br-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(Br)	N[5](C[6a]C[6a]2)(C[5]N[5]Br)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Br)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(Br){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Br)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Br)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	108.5840	0.000	1	108.5840	0.000	1	108.5840	0.000	1	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Cl)	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(C[5]C[5]P)	C[5](N[5]C[6a]C[5])2(Cl){1|Cl<1>,1|P<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Cl){1|P<4>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(C[5]C[5]P){1|Cl<1>,2|C<4>,3|C<3>}	110.2270	0.277	2	110.2270	0.077	2	110.2270	0.077	2	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6]C[6a])2(H)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])2(H){6|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|O<1>,2|C<4>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|O<1>,2|C<4>,5|C<3>}	109.2250	0.000	1	109.2250	0.000	1	109.2250	0.000	1	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])2(H){6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,5|C<3>}	109.3767	0.455	3	109.3767	0.207	3	109.3767	0.207	3	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN){1|C<3>,1|H<1>}	107.3640	0.000	1	107.3640	0.000	1	107.3640	0.000	1	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]N)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(NHH)	N[5](C[5]C[5]H)(C[5]N[5]H)(NHH)	C[5](N[5]C[5]N)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(NHH){1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(NHH){1|H<1>,1|N<3>}	107.4180	0.351	2	107.4180	0.123	2	107.4180	0.123	2	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[5]Ga[5]C[5])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){1|Ga<4>,1|H<1>,4|C<3>}	N[5](C[5]Ga[5]C[5])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,1|I<1>,2|C<4>,2|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ga<4>,2|C<4>,3|C<3>}	109.0180	0.000	1	109.0795	0.008	2	109.0795	0.008	2	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[5]Ga[5]C[5])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){1|Ga<4>,1|H<1>,4|C<3>}	N[5](C[5]Ga[5]C[5])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,1|P<2>,2|C<4>,2|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ga<4>,2|C<4>,3|C<3>}	109.1410	0.000	1	109.0795	0.008	2	109.0795	0.008	2	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC){1|C<3>,1|H<1>}	108.3143	0.684	3	108.3143	0.468	3	108.2545	0.326	4	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN){1|C<3>,1|H<1>}	108.0750	0.000	1	108.0750	0.000	1	108.2545	0.326	4	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(C[6]N[6]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(H){2|C<3>,2|H<1>,2|N<2>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(C[6]N[6]2){1|H<1>,3|C<3>}	107.8200	0.000	2	107.8200	0.000	2	107.8200	0.000	2	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){2|H<1>,4|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|H<1>}	108.2150	0.000	1	108.2150	0.000	1	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]Al)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){1|Al<4>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Al)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Al<4>,2|C<4>,3|C<3>}	107.3940	0.000	1	107.3940	0.000	1	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){1|B<4>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|B<4>,2|C<4>,3|C<3>}	109.4570	0.000	1	109.4570	0.000	1	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){2|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H){3|C<3>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H){3|C<3>,3|C<4>}	107.8580	0.000	1	107.8580	0.000	1	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){1|C<4>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|C<4>}	108.2200	0.000	1	108.2200	0.000	1	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){1|O<2>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H){1|O<2>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H){2|C<4>,4|C<3>}	110.2405	0.074	2	110.2405	0.006	2	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){2|Cl<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]H){1|Cl<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]H){1|Cl<1>,2|C<4>,3|C<3>}	108.1830	0.000	1	108.1830	0.000	1	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]Ga)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){1|Ga<4>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ga)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ga<4>,2|C<4>,3|C<3>}	108.3047	0.701	3	108.3047	0.492	3	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	108.1990	0.000	1	108.3604	0.328	54	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	108.3572	0.583	44	108.3604	0.328	54	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	107.6790	0.000	1	108.3604	0.328	54	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|H<1>}	109.4210	0.000	1	108.3604	0.328	54	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|H<1>}	108.3496	0.433	7	108.3604	0.328	54	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){1|H<1>,1|N<2>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|N<2>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	108.1915	0.235	2	108.3492	0.440	4	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|N<3>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	107.7440	0.000	1	108.3492	0.440	4	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){1|H<1>,1|N<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|N<4>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	109.2700	0.000	1	108.3492	0.440	4	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]Os)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){1|Os<6>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Os<6>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Os)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	109.0075	1.126	4	109.0075	1.269	4	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]Sb)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){1|Sb<4>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Sb<4>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Sb)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	108.8225	0.268	2	108.8225	0.072	2	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){1|Si<5>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Si<5>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	108.6403	0.677	3	108.6403	0.459	3	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){1|N<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){2|H<1>,3|C<3>}	108.1070	0.000	1	108.1070	0.000	1	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){1|N<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	107.8585	1.453	2	108.2413	0.586	6	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){1|N<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	107.9850	0.000	1	108.2413	0.586	6	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){1|N<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	108.5820	0.238	3	108.2413	0.586	6	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){2|C<3>,2|H<1>,2|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	108.3580	0.000	1	108.3115	0.004	2	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){2|C<3>,2|H<1>,2|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){2|H<1>,3|C<3>}	108.2650	0.000	1	108.3115	0.004	2	108.4294	0.454	87	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:I-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(I)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]I)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]I)	C[5](N[5]C[6a]C[5])2(I){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]I){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]I){1|H<1>,2|C<4>,3|C<3>}	106.9740	0.000	1	106.9740	0.000	1	106.9740	0.000	1	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	N[5](C[5]C[5]C)(C[5]N[5]O)(CCH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){2|H<1>,4|C<3>}	N[5](C[5]C[5]C)(C[5]N[5]O)(CCH){1|C<3>,1|O<1>}	106.8410	0.000	1	106.8410	0.000	1	106.8410	0.000	1	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(O)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])2(O){6|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){2|H<1>,4|C<3>}	106.8160	0.000	1	106.8160	0.000	1	106.2550	0.541	3	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(O)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])2(O){1|O<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){2|H<1>,4|C<3>}	105.9745	0.781	2	105.9745	0.611	2	106.2550	0.541	3	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])2(S)	N[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(C[5]N[5]S)	N[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[5](N[5]C[5,5]C[6a])2(S){2|S<2>,4|C<3>}	N[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(C[5]N[5]S){1|Ge<5>,1|S<2>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(C[5]N[5]S){1|Ge<5>,1|S<2>,2|C<4>,3|C<3>}	105.3355	0.354	2	105.3355	0.126	2	105.3355	0.126	2	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]S)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])2(S){2|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]S){3|C<3>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]S){3|C<3>,3|C<4>}	104.9750	0.000	1	104.9750	0.000	1	104.9199	0.420	17	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])2(S){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	105.2110	0.694	5	104.9793	0.708	6	104.9199	0.420	17	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])2(S){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){3|C<3>,3|H<1>}	103.8210	0.000	1	104.9793	0.708	6	104.9199	0.420	17	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[6a]C[6a]2)(C[5]C[5]Li)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])2(S){1|Li<4>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|Li<4>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Li)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	104.3800	0.000	1	104.3800	0.000	1	104.9199	0.420	17	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])2(S){1|H<1>,1|P<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|P<3>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	104.8580	0.000	1	104.5914	0.048	5	104.9199	0.420	17	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])2(S){1|H<1>,1|P<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|P<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){3|C<3>,3|H<1>}	104.3260	0.000	1	104.5914	0.048	5	104.9199	0.420	17	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])2(S){1|H<1>,1|P<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|P<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){3|C<3>,3|H<1>}	104.5910	0.157	3	104.5914	0.048	5	104.9199	0.420	17	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]S)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])2(S){2|N<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]S){1|N<3>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]S){1|N<3>,2|C<4>,3|C<3>}	105.8460	0.557	2	105.8460	0.310	2	104.9199	0.420	17	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])2(S){2|P<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){1|P<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){1|P<4>,2|H<1>,3|C<3>}	104.6560	0.000	1	104.6560	0.000	1	104.9199	0.420	17	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]N[5]S)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])2(S){2|S<2>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]N[5]S){1|S<2>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]N[5]S){1|S<2>,2|C<4>,3|C<3>}	105.1030	0.000	1	105.1030	0.000	1	104.9199	0.420	17	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Se-1:	C[5]-3:C[5]-3:P-3:	C[5]-3:C[5]-3:P-3:	C[5](N[5]C[5]P)2(Se)	N[5](C[5]N[5]Se)(C[5]C[5]H)(PCC)	N[5](C[5]N[5]Se)(C[5]C[5]H)(PCC)	C[5](N[5]C[5]P)2(Se){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(PCC){1|H<1>,1|P<3>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(PCC){1|H<1>,1|P<3>}	108.1780	0.000	1	108.1780	0.000	1	108.1780	0.000	1	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Se-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(Se)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Se)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Se)	C[5](N[5]C[6a]C[5])2(Se){2|Cl<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Se){1|Cl<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Se){1|Cl<1>,2|C<4>,3|C<3>}	105.7290	0.000	1	105.7290	0.000	1	105.7184	1.772	10	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Se-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(Se)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]B)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(Se){1|B<4>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|B<4>,2|C<4>,3|C<3>}	108.2050	0.000	1	108.2050	0.000	1	105.7184	1.772	10	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Se-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(Se)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])2(Se){2|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]C){3|C<3>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]C){3|C<3>,3|C<4>}	105.5090	0.000	1	105.5090	0.000	1	105.7184	1.772	10	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Se-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(Se)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(Se){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	104.9522	0.415	6	104.9522	0.172	6	105.7184	1.772	10	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Se-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(Se)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]O)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])2(Se){2|O<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]O){1|O<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]O){1|O<1>,2|C<4>,3|C<3>}	108.0280	0.000	1	108.0280	0.000	1	105.7184	1.772	10	107.7216	2.374	140	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	111.1490	0.000	1	111.1490	0.000	1	111.1490	0.000	1	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]N[5])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]N[5])(N[5]C[5,6a]C)(H){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	108.6630	0.000	1	108.6630	0.000	1	108.6630	0.000	1	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]H){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	110.1650	0.000	1	110.1650	0.000	1	110.3475	0.060	15	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	110.3275	0.057	2	110.2133	0.041	3	110.3475	0.060	15	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,3|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	109.9850	0.000	1	110.2133	0.041	3	110.3475	0.060	15	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	110.7180	0.000	1	110.7180	0.000	1	110.3475	0.060	15	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	110.7390	0.000	1	110.7390	0.000	1	110.3475	0.060	15	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){1|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|C<4>,3|C<3>}	110.5080	0.000	1	110.5080	0.000	1	110.3475	0.060	15	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){1|N<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	110.3537	0.145	3	110.3537	0.021	3	110.3475	0.060	15	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){1|N<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	110.5350	0.064	2	110.5350	0.004	2	110.3475	0.060	15	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){1|N<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	110.0080	0.000	1	110.0080	0.000	1	110.3475	0.060	15	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){2|C<3>,2|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]N[5]H){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	110.1520	0.204	2	110.1520	0.041	2	110.3475	0.060	15	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	108.6115	0.366	2	108.6115	0.134	2	109.0712	0.513	4	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[6]O)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[6]O){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	109.0020	0.000	1	109.0020	0.000	1	109.0712	0.513	4	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCH)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]C)2(H){2|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCH){1|C<4>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH){4|C<3>}	110.0600	0.000	1	110.0600	0.000	1	109.0712	0.513	4	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]2)(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	108.0360	0.000	1	108.0360	0.000	1	107.3908	0.886	10	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]2)(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	108.0920	0.000	1	108.0920	0.000	1	107.3908	0.886	10	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]2)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]2)(N[5]C[5]C)(H){2|H<1>,2|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]2)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<3>,1|H<1>}	108.1710	0.157	2	108.1710	0.025	2	107.3908	0.886	10	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]2)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](N[5]C[5]2)(N[5]C[5]C)(H){2|H<1>,2|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]2)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<3>,1|H<1>}	108.3670	0.000	1	108.3670	0.000	1	107.3908	0.886	10	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]Ru)(C[5]N[5]2)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]2)(N[5]C[5]C)(H){1|Ru<6>,1|H<1>,2|N<3>}	N[5](C[5]C[5]Ru)(C[5]N[5]2)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Ru<6>,1|C<3>}	106.3802	0.505	4	106.3802	0.255	4	107.3908	0.886	10	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]Ru)(C[5]N[5]2)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](N[5]C[5]2)(N[5]C[5]C)(H){1|Ru<6>,1|H<1>,2|N<3>}	N[5](C[5]C[5]Ru)(C[5]N[5]2)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Ru<6>,1|C<3>}	107.5500	0.000	1	107.5500	0.000	1	107.3908	0.886	10	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(C[6]N[6]2)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H){2|H<1>,2|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]H)(C[6]N[6]2){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	108.4300	0.000	2	108.4300	0.000	2	108.4300	0.000	2	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H)	N[5](C[5a]C[5a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[5a]C[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	108.7790	0.000	1	108.7790	0.000	1	108.2654	0.140	5	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H)	N[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H){1|C<3>,1|O<2>,2|H<1>}	N[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|C<3>,1|H<1>}	108.0270	0.000	1	108.0270	0.000	1	108.2654	0.140	5	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H)	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H){1|N<2>,1|N<3>,2|H<1>}	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<3>,1|H<1>}	108.2240	0.000	1	108.2240	0.000	1	108.2654	0.140	5	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H)	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H){1|N<2>,1|N<3>,2|H<1>}	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<3>,1|H<1>}	108.1485	0.457	2	108.1485	0.209	2	108.2654	0.140	5	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H)	N[5](C[6]C[6]N[6])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H){1|C<3>,1|N<3>,2|H<1>}	N[5](C[6]C[6]N[6])(C[5]C[5]H)(C[5]N[5]H){1|Ru<9>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BC[6a]3)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|B<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BC[6a]3){1|C<3>,1|H<1>}	110.7270	0.000	1	110.7270	0.000	1	109.9945	0.242	4	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5]HH){1|C<3>,1|H<1>}	109.7503	0.077	3	109.7503	0.006	3	109.9945	0.242	4	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<3>,1|H<1>}	108.4575	0.648	2	108.4575	0.420	2	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	108.6830	0.000	1	108.6830	0.000	1	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	108.4550	0.756	4	108.4550	0.572	4	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	108.5650	0.157	4	108.5650	0.025	4	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H){2|C<3>,4|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>}	108.5440	0.000	1	108.5440	0.000	1	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<3>,1|H<1>}	108.6310	0.204	2	108.6245	0.029	4	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<3>,1|H<1>}	108.7710	0.000	1	108.6245	0.029	4	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<3>,1|H<1>}	108.4650	0.000	1	108.6245	0.029	4	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	107.8240	0.000	1	108.5329	0.283	36	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	108.7172	0.595	13	108.5329	0.283	36	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	108.4563	0.467	22	108.5329	0.283	36	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<3>,1|H<1>}	108.4240	0.000	1	108.4240	0.000	1	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<3>,1|H<1>}	108.7600	0.000	1	108.7600	0.000	1	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH){1|C<3>,1|H<1>}	109.6130	0.000	1	109.6130	0.000	1	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	107.7320	0.081	2	108.6457	0.420	19	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	108.6700	0.000	1	108.6457	0.420	19	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	108.6798	0.305	11	108.6457	0.420	19	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	108.9312	1.066	5	108.6457	0.420	19	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	108.2620	0.000	1	108.3889	0.900	33	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	107.4010	0.000	1	108.3889	0.900	33	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	108.1205	0.248	2	108.3889	0.900	33	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	108.0357	0.109	3	108.3889	0.900	33	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	108.3870	0.000	1	108.3889	0.900	33	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	108.5502	1.087	23	108.3889	0.900	33	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	107.6620	0.000	1	108.3889	0.900	33	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	108.1200	0.000	1	108.3889	0.900	33	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHI)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHI){1|C<3>,1|H<1>}	108.0920	0.000	1	108.0920	0.000	1	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHS)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHS){1|C<3>,1|H<1>}	108.1950	0.383	2	108.1950	0.147	2	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|C<3>,1|H<1>}	108.1203	0.272	6	108.1501	0.086	8	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|C<3>,1|H<1>}	108.2395	0.457	2	108.1501	0.086	8	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|C<3>,1|H<1>}	107.9360	0.000	1	107.9360	0.000	1	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CC[6]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|Ir<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ir<6>,2|C<3>,3|C<4>}	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CC[6]HH){1|C<3>,1|H<1>}	108.2900	0.000	1	108.2900	0.000	1	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]Os)(C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|Os<7>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Os<7>,2|C<3>,3|C<4>}	N[5](C[5]C[5]Os)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	110.2050	0.000	1	109.2785	1.717	2	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]Os)(C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|Os<8>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Os<8>,2|C<3>,3|C<4>}	N[5](C[5]C[5]Os)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	108.3520	0.000	1	109.2785	1.717	2	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]Ru)(C[5]N[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|Ru<7>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ru<7>,2|C<3>,3|C<4>}	N[5](C[5]C[5]Ru)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	107.7480	0.000	1	107.7480	0.000	1	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]Ru)(C[5]N[5]H)(CN[5]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|Ru<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ru<6>,2|C<3>,3|C<4>}	N[5](C[5]C[5]Ru)(C[5]N[5]H)(CN[5]HH){1|C<3>,1|H<1>}	107.2800	0.000	1	107.2800	0.000	1	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|Pd<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(C[5]N[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Pd<4>,1|C<3>}	109.5380	0.231	2	109.5380	0.053	2	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|C<3>,1|N<2>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	108.4607	0.491	3	108.4607	0.242	3	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|C<3>,1|N<2>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	108.3528	0.803	72	108.3528	0.645	72	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HP)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|C<3>,1|N<2>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HP){1|C<3>,1|H<1>}	108.9640	0.000	1	108.9640	0.000	1	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|C<3>,1|N<2>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	108.3660	0.272	2	108.5760	0.099	4	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|C<3>,1|N<2>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	108.7860	0.216	2	108.5760	0.099	4	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]N[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|H<1>,2|N<2>}	N[5](C[6a]N[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	107.7335	0.273	4	107.7335	0.075	4	108.4351	0.529	210	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:I-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(I)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]I)	N[5](C[5]C[5]H)(C[5]N[5]I)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(I){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]I){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]I)(CH3){1|C<3>,1|H<1>}	107.5210	0.140	2	107.5210	0.020	2	107.5210	0.020	2	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S)	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S){1|N<2>,1|N<3>,2|H<1>}	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|C<3>,1|H<1>}	106.0000	0.000	1	106.0000	0.000	1	105.1313	0.589	3	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S)	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S){1|N<2>,1|N<3>,2|H<1>}	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<3>,1|H<1>}	104.5460	0.000	1	104.5460	0.000	1	105.1313	0.589	3	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S)	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S){1|N<2>,1|N<3>,2|H<1>}	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<3>,1|H<1>}	104.8480	0.000	1	104.8480	0.000	1	105.1313	0.589	3	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(S){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<3>,1|H<1>}	107.1715	0.336	6	107.1715	0.113	6	107.1715	0.113	6	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S){1|C<3>,1|N<2>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<3>,1|H<1>}	104.6195	0.052	2	104.6195	0.003	2	104.6195	0.003	2	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(Se){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3){1|H<1>,3|C<3>}	105.6130	0.000	1	105.2440	0.069	4	105.2440	0.069	4	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(Se){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3){1|H<1>,3|C<3>}	105.1210	0.110	3	105.2440	0.069	4	105.2440	0.069	4	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]2)(N[5]C[5]C)(Se)	N[5](C[5]N[5]Se)(C[5]C[5]H)(C[5]N[5]2)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC3)	C[5](N[5]C[5]2)(N[5]C[5]C)(Se){2|H<1>,2|N<2>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(C[5]N[5]2){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>}	105.6380	0.000	1	105.6380	0.000	1	105.6380	0.000	1	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(Se)	N[5](C[5a]N[5a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(Se){1|N<2>,1|N<3>,2|H<1>}	N[5](C[5a]N[5a]2)(C[5]N[5]Se)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	104.9110	0.000	1	104.9110	0.000	1	104.7460	0.054	2	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(Se)	N[5](C[5a]N[5a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(Se){1|N<2>,1|N<3>,2|H<1>}	N[5](C[5a]N[5a]2)(C[5]N[5]Se)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	104.5810	0.000	1	104.5810	0.000	1	104.7460	0.054	2	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(Se)	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(Se){2|C<3>,2|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Se)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	105.2410	0.000	1	105.2410	0.000	1	105.5670	0.213	2	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(Se)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(Se){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	105.8930	0.000	1	105.8930	0.000	1	105.5670	0.213	2	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:Se-1:	S[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-3:C-4:	C[5](N[5]S[5,5]C[6a])(N[5]C[5,5]C)(Se)	N[5](S[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]N[5]Se)	N[5](C[5,5]S[5,5]N[5])(C[5]N[5]Se)(CCHH)	C[5](N[5]S[5,5]C[6a])(N[5]C[5,5]C)(Se){2|C<3>,2|N<3>}	N[5](S[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]N[5]Se){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,5]S[5,5]N[5])(C[5]N[5]Se)(CCHH){1|C<4>,1|N<3>,2|C<3>}	108.7910	0.222	4	108.7910	0.049	4	108.7910	0.049	4	108.3434	1.342	279	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:4:2:	N[5]-3:N[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C-4:N[5]-2:	C[5](N[5]C[5a]C[5])(N[5]N[5]C)(H)	N[5](C[5a]C[5a]2)(C[5]N[5]H)2	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C[5](N[5]C[5a]C[5])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	N[5](C[5a]C[5a]2)(C[5]N[5]H)2{1|C<4>,1|N<3>,3|C<3>}	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|C<3>,1|H<1>}	106.7590	0.000	1	106.7590	0.000	1	106.7590	0.000	1	104.1952	4.708	6	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:4:2:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C-4:N[5]-2:	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|C<3>,1|H<1>}	107.1730	0.000	1	107.1730	0.000	1	107.1730	0.000	1	104.1952	4.708	6	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:4:2:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:C-4:N[5]-2:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH){1|C<4>,2|C<3>}	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<3>,1|N<3>}	102.6420	0.206	3	102.6420	0.042	3	102.6420	0.042	3	104.1952	4.708	6	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	3:4:2:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:N[5]-2:	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(S)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	N[5](C[5]N[5]S)(CC[6a]HH)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(S){3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]N[5]S)(CC[6a]HH)(N[5]C[5]){2|C<3>}	103.3130	0.000	1	103.3130	0.000	1	103.3130	0.000	1	104.1952	4.708	6	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[5a]O)	N[5](C[5]C[5]CC)(C[5]N[5]O)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|C<4>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[5a]O){1|H<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	107.0090	0.000	1	107.0090	0.000	1	107.0090	0.000	1	106.9394	0.110	8	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]O)	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(O){1|N<2>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]O){3|H<1>,4|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H){1|N<2>,5|C<3>}	106.8530	0.000	1	106.8530	0.000	1	106.9182	0.152	6	106.9394	0.110	8	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	N[5](C[5]C[5]CC)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(O){1|C<4>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5]CC)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	106.7080	0.000	1	106.9312	0.189	5	106.9182	0.152	6	106.9394	0.110	8	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	N[5](C[5]C[5]CC)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(O){1|O<1>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5]CC)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	106.9870	0.480	4	106.9312	0.189	5	106.9182	0.152	6	106.9394	0.110	8	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	4:3:1:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S)	N[5](C[5]C[5a]C[5]C)(C[5]N[5]S)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S){1|C<4>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]C)(C[5]N[5]S)(H){1|O<1>,1|O<2>,2|C<3>}	106.9970	0.000	1	106.9970	0.000	1	106.9970	0.000	1	106.9394	0.110	8	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	4:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	B-4:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](BC[6a]C[5]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	N[5](BC[6a]C[5]2)(C[5]C[5]H)(C[5]N[5]H){1|C<3>,1|H<1>}	110.3530	0.000	1	110.3530	0.000	1	110.3530	0.000	1	109.5590	1.261	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	4:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[4]-4:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[4]C[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[4]C[4]2H)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(N[5]C[4]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,3|C<4>}	N[5](C[4]C[4]2H)(C[5]C[5]H)(C[5]N[5]H){1|C<3>,1|C<4>,5|H<1>}	108.7650	0.000	1	108.7650	0.000	1	108.7650	0.000	1	109.5590	1.261	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	107.2520	0.000	1	107.2520	0.000	1	107.3155	0.008	2	107.3155	0.008	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	107.3790	0.000	1	107.3790	0.000	1	107.3155	0.008	2	107.3155	0.008	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<4>}	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH){1|H<1>,3|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<4>}	103.8150	0.544	2	103.8150	0.296	2	103.7153	0.099	23	103.7153	0.099	23	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CC[6a]HH)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<4>}	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CC[6a]HH){1|H<1>,3|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<4>}	103.7880	0.000	1	103.7880	0.000	1	103.7153	0.099	23	103.7153	0.099	23	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	103.8625	0.592	2	103.7837	0.194	3	103.7153	0.099	23	103.7153	0.099	23	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|H<1>,1|S<2>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	103.6260	0.000	1	103.7837	0.194	3	103.7153	0.099	23	103.7153	0.099	23	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>,1|N<2>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	103.6808	0.253	5	103.6490	0.065	7	103.7153	0.099	23	103.7153	0.099	23	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|H<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	103.5695	0.342	2	103.6490	0.065	7	103.7153	0.099	23	103.7153	0.099	23	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	103.5412	0.245	4	103.5910	0.057	5	103.7153	0.099	23	103.7153	0.099	23	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH){1|H<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	103.7900	0.000	1	103.5910	0.057	5	103.7153	0.099	23	103.7153	0.099	23	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3){1|C<3>,1|H<1>,1|N<2>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	104.2070	0.332	2	104.2070	0.110	2	103.7153	0.099	23	103.7153	0.099	23	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:2:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<4>}	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|H<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<4>}	103.5907	0.202	3	103.5907	0.041	3	103.7153	0.099	23	103.7153	0.099	23	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:2:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH){4|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){2|C<4>}	103.5500	0.173	2	103.5500	0.030	2	103.7186	0.080	7	103.7186	0.080	7	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:2:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CH3)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CH3){4|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){2|C<4>}	103.9483	0.049	3	103.9483	0.002	3	103.7186	0.080	7	103.7186	0.080	7	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:2:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	N[5](C[5]N[5]S)(N[5]C[5])(CH3)	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<4>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(CH3){1|C<3>,1|C<4>}	103.2500	0.000	1	103.2500	0.000	1	103.7186	0.080	7	103.7186	0.080	7	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:2:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<4>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|C<4>}	103.8350	0.000	1	103.8350	0.000	1	103.7186	0.080	7	103.7186	0.080	7	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH){1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|C<4>}	110.1150	0.000	1	110.1150	0.000	1	110.2921	0.513	23	109.0509	1.423	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.5846	0.654	12	110.5846	0.427	12	110.2921	0.513	23	109.0509	1.423	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	110.5930	0.000	1	110.5930	0.000	1	110.2921	0.513	23	109.0509	1.423	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|C<4>,2|C<3>}	109.5988	0.387	5	109.8884	0.495	9	110.2921	0.513	23	109.0509	1.423	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|C<4>}	110.2505	0.898	4	109.8884	0.495	9	110.2921	0.513	23	109.0509	1.423	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]B)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5a]3)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]B)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5a]3){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|B<4>,1|H<1>}	110.8320	0.000	1	110.8320	0.000	1	110.8320	0.000	1	109.0509	1.423	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|C<3>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	109.5360	0.000	1	109.5360	0.000	1	108.5891	0.234	35	109.0509	1.423	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	108.5612	0.462	34	108.5612	0.213	34	108.5891	0.234	35	109.0509	1.423	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:O-1:	C[5](N[5]C[5]C)(N[5]C[5]O)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]H)(O)	C[5](N[5]C[5]C)(N[5]C[5]O)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|H<1>,1|O<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(O){1|C<4>,1|H<1>}	107.7110	0.839	2	107.7110	0.703	2	107.7110	0.703	2	109.0509	1.423	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	N[5](C[5]N[5]H)2(H)	C[5](N[5]C[5]H)(N[5]N[5]C)(H){2|H<1>}	N[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	N[5](C[5]N[5]H)2(H){1|C<4>,1|H<1>}	109.5920	0.908	2	109.5920	0.824	2	109.5920	0.824	2	109.0509	1.423	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	106.3110	0.000	1	106.3110	0.000	1	107.5576	0.578	5	109.0509	1.423	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){2|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	107.8490	0.000	1	107.8490	0.000	1	107.5576	0.578	5	109.0509	1.423	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	107.9160	0.600	2	107.9160	0.360	2	107.5576	0.578	5	109.0509	1.423	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){2|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	107.7960	0.000	1	107.7960	0.000	1	107.5576	0.578	5	109.0509	1.423	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|C<4>,1|H<1>,2|C<3>}	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	109.0509	1.423	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]S)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	105.9160	0.000	1	105.9160	0.000	1	105.9160	0.000	1	109.0509	1.423	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:2:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-2:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<2>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC){1|C<4>,1|H<1>}	109.1690	0.000	1	109.1690	0.000	1	109.1690	0.000	1	106.9950	3.982	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:2:	N[5]-3:N[5]-3:I-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[5]C)(N[5]C[5]N)(I)	N[5](C[5]C[5]H)(C[5]N[5]I)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]I)(NC)	C[5](N[5]C[5]C)(N[5]C[5]N)(I){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]I)(CC3){1|H<1>,1|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]I)(NC){1|C<4>,1|H<1>}	106.5690	0.000	1	106.5690	0.000	1	106.5690	0.000	1	106.9950	3.982	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:2:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N-2:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(NC)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|H<1>,1|N<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(NC){1|C<4>,1|H<1>,2|C<3>}	105.2470	0.000	1	105.2470	0.000	1	105.2470	0.000	1	106.9950	3.982	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){1|C<4>,1|H<1>}	108.3890	0.000	1	108.3890	0.000	1	108.3344	2.128	8	107.5965	4.297	13	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC){1|C<4>,1|H<1>}	108.1570	0.000	1	108.1570	0.000	1	108.3344	2.128	8	107.5965	4.297	13	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){1|C<4>,1|H<1>}	108.3548	1.724	6	108.3548	2.972	6	108.3344	2.128	8	107.5965	4.297	13	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:P-3:	C[5](N[5]C[5]C)(N[5]C[5]P)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]H)(PCC)	C[5](N[5]C[5]C)(N[5]C[5]P)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|H<1>,1|P<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(PCC){1|C<4>,1|H<1>}	110.8820	0.000	1	110.8820	0.000	1	110.8820	0.000	1	107.5965	4.297	13	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH){1|C<4>,1|H<1>}	105.1340	0.088	2	105.1340	0.008	2	105.1163	0.005	3	107.5965	4.297	13	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]S)(COO)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(COO){1|C<4>,1|H<1>}	105.0810	0.000	1	105.0810	0.000	1	105.1163	0.005	3	107.5965	4.297	13	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:Se-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]C)2(Se)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCH)	C[5](N[5]C[5]C)2(Se){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	105.8480	0.000	1	105.8480	0.000	1	105.8480	0.000	1	107.5965	4.297	13	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Br-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(Br)	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	C[5](N[5]C[5]C)2(Br){2|Br<1>}	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	109.2592	1.049	4	109.2592	1.100	4	109.3515	0.630	13	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Br-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(Br)	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CH3)	C[5](N[5]C[5]C)2(Br){2|Br<1>}	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CH3){1|Br<1>,1|C<4>}	109.6707	0.530	4	109.6707	0.281	4	109.3515	0.630	13	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Br-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(Br)	N[5](C[5]N[5]Br)(C[5]C[5]H)(CH3)	N[5](C[5]N[5]Br)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(Br){2|H<1>}	N[5](C[5]N[5]Br)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	N[5](C[5]N[5]Br)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	109.1698	0.839	5	109.1698	0.703	5	109.3515	0.630	13	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(Cl)	N[5](C[5]N[5]Cl)(C[5]C[5]C)(CC[6a]HH)	N[5](C[5]N[5]Cl)(C[5]C[5]C)(CC[6a]HH)	C[5](N[5]C[5]C)2(Cl){2|C<4>}	N[5](C[5]N[5]Cl)(C[5]C[5]C)(CC[6a]HH){2|C<4>}	N[5](C[5]N[5]Cl)(C[5]C[5]C)(CC[6a]HH){2|C<4>}	109.0390	0.000	1	109.0390	0.000	1	109.0390	0.000	1	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(H)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]H)(CCHH)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]H)(CCHH)	C[5](N[5]C[5,6]C)2(H){2|P<4>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|P<4>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|P<4>}	109.6750	0.000	1	109.6750	0.000	1	109.6750	0.000	1	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[5]-3:B-4:	C[5](N[5]C[5,6a]B)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BF3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BF3)	C[5](N[5]C[5,6a]B)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BF3){1|B<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BF3){1|B<4>,1|H<1>,2|C<3>}	113.0820	0.000	1	113.0820	0.000	1	113.0820	0.000	1	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BC[6a]2C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BC[6a]2C){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|B<4>,1|H<1>,2|C<3>}	112.4890	0.000	1	112.4890	0.000	1	112.2957	0.055	3	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BC[6a]3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BC[6a]3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|B<4>,1|H<1>,2|C<3>}	112.1990	0.233	2	112.1990	0.054	2	112.2957	0.055	3	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]N[5]H)(CH3)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]N[5]H)(CH3){1|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]N[5]H)(CH3){1|C<4>,3|C<3>}	111.0130	0.000	1	111.0130	0.000	1	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	110.7510	0.189	6	110.7510	0.036	6	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	110.5408	0.352	4	110.5408	0.124	4	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	110.6642	0.351	52	110.6642	0.124	52	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.6070	0.161	5	110.6260	0.023	6	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Cl<1>,1|C<4>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Cl<1>,1|C<4>,2|C<3>}	110.7210	0.000	1	110.6260	0.023	6	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|C<4>,2|C<3>}	111.2240	0.000	1	111.2240	0.000	1	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){2|C<3>,2|C<4>}	112.1420	0.000	1	112.7245	0.679	2	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){2|C<3>,2|C<4>}	113.3070	0.000	1	112.7245	0.679	2	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5a]HH)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	110.7230	0.000	1	110.7230	0.000	1	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	110.7365	0.977	2	110.7365	0.954	2	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	110.5118	0.296	6	110.5118	0.088	6	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	110.3459	0.642	15	110.3459	0.412	15	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	110.3550	0.000	1	110.3550	0.000	1	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	110.4136	0.637	23	110.4388	0.404	24	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>}	111.0200	0.000	1	110.4388	0.404	24	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.3280	0.000	1	110.8220	0.488	2	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Cl<1>,1|C<4>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Cl<1>,1|C<4>,2|C<3>}	111.3160	0.000	1	110.8220	0.488	2	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH){1|C<4>,1|H<1>,2|C<3>}	110.6910	0.000	1	110.6910	0.000	1	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){2|C<3>,2|C<4>}	108.7820	0.000	1	108.7820	0.000	1	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.7732	0.427	5	110.7732	0.182	5	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|C<4>,2|C<3>}	110.7097	0.775	3	110.4642	0.413	5	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){2|C<3>,2|C<4>}	110.0960	0.000	2	110.4642	0.413	5	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.2380	0.206	2	110.2380	0.043	2	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHP)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHP)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	110.6740	0.113	2	110.6740	0.013	2	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	111.1225	0.449	2	111.1225	0.202	2	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCHH)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCHH)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCHH){1|C<4>,3|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCHH){1|C<4>,3|C<3>}	110.9010	0.000	1	110.9010	0.000	1	110.6075	0.308	142	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:Ga-4:	C[5,6a]-3:C[5]-3:Ga-4:	C[5](N[5]C[5,6a]Ga)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaN[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaN[5]CC)	C[5](N[5]C[5,6a]Ga)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaN[5]CC){1|Ga<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaN[5]CC){1|Ga<4>,1|H<1>,2|C<3>}	115.4210	0.266	2	115.4210	0.071	2	115.4210	0.071	2	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[5]B)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BC[6a]3)	N[5](C[5]C[5]H)(C[5]N[5]H)(BC[6a]3)	C[5](N[5]C[5]B)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BC[6a]3){1|B<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BC[6a]3){1|B<4>,1|H<1>}	112.0740	0.383	2	112.0740	0.147	2	112.0740	0.147	2	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BC3)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|B<4>,1|H<1>}	110.8870	0.000	1	110.8870	0.000	1	110.0761	0.440	7	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BC[6a]3)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BC[6a]3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<4>,1|H<1>}	109.5360	0.000	1	109.5360	0.000	1	110.0761	0.440	7	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5]3)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]B)(N[5]C[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5]3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|B<4>,1|H<1>}	108.9570	0.000	1	108.9570	0.000	1	110.0761	0.440	7	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|B<4>,1|H<1>}	110.2883	0.294	4	110.2883	0.086	4	110.0761	0.440	7	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(BC[6a]3)	C[5](N[5]C[5]B)(N[5]C[5]C)(H){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|B<4>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]H)(BC[6a]3){2|C<4>}	110.7580	0.000	1	110.7580	0.000	1	109.7913	0.709	3	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CN[5]HH)	N[5](C[5]C[5]C)(C[5]N[5]H)(BN[5]HH)	C[5](N[5]C[5]B)(N[5]C[5]C)(H){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CN[5]HH){1|B<4>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]H)(BN[5]HH){2|C<4>}	109.3080	0.124	2	109.3080	0.015	2	109.7913	0.709	3	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Al)(C[5]N[5]H)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]C)2(H){1|Al<4>,1|H<1>}	N[5](C[5]C[5]Al)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Al<4>,1|C<4>}	109.0070	0.000	1	109.0070	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]B)(C[5]N[5]H)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]C)2(H){1|B<4>,1|H<1>}	N[5](C[5]C[5]B)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|B<4>,1|C<4>}	110.7965	0.704	2	110.7965	0.495	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH)	N[5](C[5]C[5]Br)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|Br<1>}	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH){1|Br<1>,1|C<4>}	N[5](C[5]C[5]Br)(C[5]N[5]H)(CH3){1|Br<1>,1|C<4>}	109.5140	0.016	2	109.5140	0.000	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCCH)	C[5](N[5]C[5]C)2(H){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CCCH){2|C<4>}	108.8506	0.363	10	108.8506	0.132	10	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C)2(H){2|C<3>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>}	109.7180	0.000	1	109.1985	0.540	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C)2(H){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){2|C<4>}	108.6790	0.000	1	109.1985	0.540	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){2|C<4>}	108.4280	0.187	2	108.4280	0.035	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C)2(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|C<4>}	108.1350	0.000	1	108.1350	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|C<3>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|C<3>,1|C<4>}	109.2480	0.721	3	108.7765	0.475	6	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){2|C<4>}	108.3050	0.028	3	108.7765	0.475	6	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Cl)(C[5]N[5]H)(CH3)	N[5](C[5]C[5]Cl)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|Cl<1>}	N[5](C[5]C[5]Cl)(C[5]N[5]H)(CH3){1|Cl<1>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]H)(CH3){1|Cl<1>,1|C<4>}	109.2110	0.000	1	109.2110	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Fe)(C[5]N[5]H)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]C)2(H){1|Fe<4>,1|H<1>}	N[5](C[5]C[5]Fe)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Fe<4>,1|C<4>}	108.0730	0.000	1	108.0730	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	109.3215	0.575	11	109.3215	0.331	11	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	109.2810	0.000	1	109.2810	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	N[5](C[5]C[5]In)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]C)2(H){1|In<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|In<4>,1|C<4>}	N[5](C[5]C[5]In)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	109.1270	0.000	1	109.1270	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	N[5](C[5]C[5]Os)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]C)2(H){1|Os<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Os<4>,1|C<4>}	N[5](C[5]C[5]Os)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	109.7200	0.000	1	109.7200	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	N[5](C[5]C[5]P)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]C)2(H){1|H<1>,1|P<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|P<3>}	N[5](C[5]C[5]P)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	109.5330	0.000	1	110.1585	0.783	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	N[5](C[5]C[5]P)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]C)2(H){1|H<1>,1|P<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	110.7840	0.000	1	110.1585	0.783	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	N[5](C[5]C[5]Pt)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]C)2(H){1|Pt<2>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Pt<2>,1|C<4>}	N[5](C[5]C[5]Pt)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	110.0090	0.000	1	109.6260	0.293	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	N[5](C[5]C[5]Pt)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]C)2(H){1|Pt<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Pt<4>,1|C<4>}	N[5](C[5]C[5]Pt)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	109.2430	0.000	1	109.6260	0.293	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	108.5488	0.375	6	108.5488	0.141	6	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	108.7965	0.049	2	108.7965	0.002	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	108.3387	0.579	3	108.3387	0.336	3	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CHHP)	C[5](N[5]C[5]C)2(H){1|Ir<8>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Ir<8>,1|C<4>}	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CHHP){1|C<4>,1|H<1>}	108.0410	0.000	1	108.0410	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){1|H<1>,1|P<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	109.3810	0.000	1	109.3810	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	109.1203	0.573	15	109.1203	0.328	15	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	108.7130	0.589	56	108.7130	0.347	56	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	108.9395	1.765	375	108.9395	3.115	375	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO){1|C<4>,1|H<1>}	109.3150	0.000	1	109.3150	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	N[5](C[5]C[5]N)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|N<3>}	N[5](C[5]C[5]N)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	109.5290	0.000	1	109.5290	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	108.9805	0.104	2	108.9805	0.011	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	110.3500	2.763	5	110.3500	7.636	5	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	108.5842	0.543	6	108.5842	0.294	6	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|C<4>,1|H<1>}	109.0690	0.093	2	109.0690	0.009	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	108.5240	0.052	2	108.5240	0.003	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	108.6780	0.000	1	108.6780	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	108.0110	0.000	1	108.0110	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	109.4860	0.000	1	109.4860	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	106.3080	0.000	1	106.3080	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	108.7827	0.719	3	108.7827	0.517	3	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]2H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]2H)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]2H){1|C<4>,1|H<1>}	108.0190	0.000	1	108.0190	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	108.1990	0.000	1	108.1990	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	108.1820	0.000	1	108.1820	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	109.2105	0.580	4	109.2105	0.337	4	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	108.9130	0.000	1	108.9130	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	109.0750	0.294	2	109.0750	0.087	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	108.7286	0.853	48	108.7286	0.728	48	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	108.3600	0.000	1	108.3600	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	109.0252	0.714	41	109.0252	0.510	41	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	108.7872	0.454	40	108.7872	0.206	40	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|C<4>,1|H<1>}	108.2462	0.233	11	108.2462	0.054	11	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Pd<4>,1|C<4>}	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	108.4220	0.000	1	108.4220	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	108.7727	0.664	35	108.7727	0.441	35	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){1|H<1>,1|P<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|P<3>}	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	108.5620	0.515	2	108.5620	0.265	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	108.6743	0.222	4	108.6743	0.049	4	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	108.5265	0.255	2	108.5265	0.065	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	108.2555	0.226	2	108.2555	0.051	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	108.2290	0.352	2	108.2290	0.124	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	108.0133	0.700	3	108.0133	0.490	3	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	108.3099	0.253	9	108.3099	0.064	9	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	109.0190	0.000	1	109.0190	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CSeHH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CSeHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	108.1150	0.170	2	108.1150	0.029	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CSeHH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CSeHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	108.9385	0.199	4	108.9385	0.040	4	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH)	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|I<1>}	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH){1|C<4>,1|I<1>}	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3){1|C<4>,1|I<1>}	109.3490	0.173	2	109.3490	0.030	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){1|I<1>,1|P<3>}	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3){1|C<4>,1|P<3>}	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|I<1>}	109.3110	0.000	1	109.1070	0.083	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){1|I<2>,1|P<4>}	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3){1|C<4>,1|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|I<2>}	108.9030	0.000	1	109.1070	0.083	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){1|Ir<8>,1|H<1>}	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ir<8>,1|C<4>}	108.4610	0.000	1	108.4610	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CC[6]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](N[5]C[5]C)2(H){1|Ir<6>,1|H<1>}	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Ir<6>,1|C<4>}	107.6070	0.000	2	107.6070	0.000	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]N)(C[5]N[5]H)(CC[6a]HH)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){1|C<2>,1|N<3>}	N[5](C[5]C[5]N)(C[5]N[5]H)(CC[6a]HH){1|C<2>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|C<4>,1|N<3>}	109.4040	0.000	1	109.4040	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]N[5])(C[5]N[5]H)(CH3)	N[5](C[5]C[5]N[5])(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|N<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	109.4110	0.000	1	109.4110	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Os)(C[5]N[5]H)(CC[6]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){1|Os<7>,1|H<1>}	N[5](C[5]C[5]Os)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Os<7>,1|C<4>}	106.5160	0.000	1	106.5160	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|P<4>}	110.0780	0.350	6	110.0780	0.123	6	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|P<3>}	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CH3){1|C<4>,1|P<3>}	109.6600	0.000	1	109.6600	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]P[3])(C[5]N[5]H)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]C)2(H){1|H<1>,1|P<3>}	N[5](C[5]C[5]P[3])(C[5]N[5]H)(CC3){1|C<4>,1|H<1>,2|P<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|P<3>}	109.9030	0.000	1	109.9030	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|H<1>}	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	108.1393	0.041	3	108.1393	0.002	3	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CC[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|H<1>}	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Pd<4>,1|C<4>}	108.4845	0.265	2	108.4845	0.070	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CC[6]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|H<1>}	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Pd<4>,1|C<4>}	108.4110	0.000	1	108.4110	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CH3)	N[5](C[5]C[5]S)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|S<2>}	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CH3){1|C<4>,1|S<2>}	N[5](C[5]C[5]S)(C[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	108.9390	0.000	1	108.9390	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CH3)	N[5](C[5]C[5]Si)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|Si<4>}	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CH3){1|Si<4>,1|C<4>}	N[5](C[5]C[5]Si)(C[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	109.4660	0.000	1	109.4660	0.000	1	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]Si[4]C[5])(C[5]N[5]H)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]C)2(H){1|Si<3>,1|H<1>}	N[5](C[5]Si[4]C[5])(C[5]N[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Si<3>,1|C<4>}	103.3195	0.278	2	103.3195	0.077	2	108.8674	1.883	777	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:Si-4:	C[5]-3:C[5]-3:Si-4:	C[5](N[5]C[5]Si)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(SiC3)	N[5](C[5]C[5]H)(C[5]N[5]H)(SiC3)	C[5](N[5]C[5]Si)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(SiC3){1|Si<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(SiC3){1|Si<4>,1|H<1>}	111.5290	0.000	1	111.5290	0.000	1	111.5290	0.000	1	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ir)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)(N[5]N[5]C)(H){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]N[5]H)(CH3){2|C<4>}	108.3860	0.000	1	108.3860	0.000	1	108.3615	0.001	2	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)(N[5]N[5]C)(H){1|Ru<9>,1|C<4>}	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3){1|Ru<9>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]N[5]H)(CH3){2|C<4>}	108.3370	0.000	1	108.3370	0.000	1	108.3615	0.001	2	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:I-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(I)	N[5](C[5]C[5]C)(C[5]N[5]I)(CC[6a]HH)	N[5](C[5]C[5]C)(C[5]N[5]I)(CC[6a]HH)	C[5](N[5]C[5]C)2(I){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]I)(CC[6a]HH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]I)(CC[6a]HH){2|C<4>}	106.6395	0.374	2	106.6395	0.140	2	107.1634	0.369	10	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:I-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(I)	N[5](C[5]C[5]H)(C[5]N[5]I)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]I)(CCHH)	C[5](N[5]C[5]C)2(I){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]I)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]I)(CCHH){1|C<4>,1|H<1>}	107.2944	0.597	8	107.2944	0.356	8	107.1634	0.369	10	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](N[5]C[5]C)2(O){1|C<3>,1|O<1>}	N[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>}	106.7145	0.152	2	106.7145	0.023	2	106.7145	0.023	2	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(S)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	C[5](N[5]C[5,6]C)2(S){2|P<3>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|Al<4>,1|C<3>,1|C<4>,1|P<3>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|Al<4>,1|C<3>,1|C<4>,1|P<3>}	105.9060	0.037	2	105.4030	0.155	6	105.4030	0.155	6	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(S)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	C[5](N[5]C[5,6]C)2(S){2|P<3>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|P<3>,1|S<2>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|P<3>,1|S<2>}	105.2085	0.053	2	105.4030	0.155	6	105.4030	0.155	6	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(S)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	C[5](N[5]C[5,6]C)2(S){2|P<3>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|Se<2>,1|C<3>,1|C<4>,1|P<3>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|Se<2>,1|C<3>,1|C<4>,1|P<3>}	105.0945	0.029	2	105.4030	0.155	6	105.4030	0.155	6	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]2H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3){1|B<4>,1|H<1>,2|C<3>}	108.9760	0.000	1	108.9760	0.000	1	108.1280	0.458	4	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]2H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|B<4>,1|H<1>,2|C<3>}	107.8453	0.455	3	107.8453	0.207	3	108.1280	0.458	4	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C[5](N[5]C[5,6a]C)2(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	106.8000	0.392	2	106.8000	0.153	2	106.6292	0.141	4	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C[5](N[5]C[5,6a]C)2(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	106.4585	0.390	2	106.4585	0.152	2	106.6292	0.141	4	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:Si-4:	C[5,6a]-3:C[5]-3:Si-4:	C[5](N[5]C[5,6a]Si)2(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3)	C[5](N[5]C[5,6a]Si)2(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3){1|Si<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3){1|Si<4>,1|H<1>,2|C<3>}	110.0690	0.000	1	110.0690	0.000	1	110.0690	0.000	1	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2C)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2C){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	106.7800	0.000	1	106.7800	0.000	1	107.0628	0.272	28	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	107.1414	0.438	12	107.1414	0.192	12	107.0628	0.272	28	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	106.7212	0.343	8	106.7212	0.117	8	107.0628	0.272	28	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2O)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2O){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	106.6045	0.114	2	106.6045	0.013	2	107.0628	0.272	28	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	108.1410	0.160	2	108.1410	0.026	2	107.0628	0.272	28	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.3400	0.389	3	107.3400	0.151	3	107.0628	0.272	28	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]2)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]C)2(S){1|C<3>,1|S<2>}	N[5](C[5]C[5]2)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|S<2>}	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>}	106.5960	0.628	2	106.5960	0.394	2	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	C[5](N[5]C[5]C)2(S){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	108.4370	0.000	1	108.4370	0.000	1	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(S){1|H<1>,1|P<4>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|C<4>,1|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	105.5170	0.651	2	105.5170	0.423	2	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH)	C[5](N[5]C[5]C)2(S){1|H<1>,1|P<4>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	105.6590	0.000	1	105.6590	0.000	1	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(S){1|H<1>,1|P<4>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	105.8912	0.245	4	105.8912	0.060	4	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH)	C[5](N[5]C[5]C)2(S){1|H<1>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|S<2>}	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	105.9690	0.000	1	105.9690	0.000	1	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	105.4480	0.000	1	105.4480	0.000	1	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	105.1502	0.311	5	105.1502	0.096	5	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	105.3220	0.428	4	105.3220	0.183	4	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	105.2890	0.289	4	105.2890	0.083	4	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CFFH)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CFFH){1|C<4>,1|H<1>}	104.5990	0.000	1	104.5990	0.000	1	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	105.3280	0.072	2	105.3280	0.005	2	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	104.9300	0.000	1	104.9300	0.000	1	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	105.2840	0.000	1	105.2840	0.000	1	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(S){1|H<1>,1|P<3>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|P<3>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	105.2135	0.334	2	105.3760	0.135	3	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(S){1|H<1>,1|P<4>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	105.7010	0.000	1	105.3760	0.135	3	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	104.5045	0.111	2	104.5045	0.012	2	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5a]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	105.0720	0.000	1	105.0720	0.000	1	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(S){1|P<3>,1|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH){1|C<4>,1|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|P<3>}	105.7730	0.000	1	105.7730	0.000	1	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(S){2|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CCHH){1|C<4>,1|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|P<4>}	105.4100	0.000	1	105.4100	0.000	1	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(S){2|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|P<4>}	105.8770	0.000	1	105.8770	0.000	1	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH)	C[5](N[5]C[5]C)2(S){2|S<2>}	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH){1|C<4>,1|S<2>}	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH){1|C<4>,1|S<2>}	107.6800	0.083	2	107.6800	0.007	2	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]C)2(S){2|S<2>}	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<4>,1|S<2>}	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<4>,1|S<2>}	105.9445	0.555	2	105.9445	0.308	2	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]S)(C[5]N[5]S)(CH3)	N[5](C[5]C[5]S)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(S){2|S<2>}	N[5](C[5]C[5]S)(C[5]N[5]S)(CH3){1|C<4>,1|S<2>}	N[5](C[5]C[5]S)(C[5]N[5]S)(CH3){1|C<4>,1|S<2>}	106.1440	0.000	1	106.1440	0.000	1	105.6280	0.671	44	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]Si)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(SiN[5]2C)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]Si)(N[5]C[5]C)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(SiN[5]2C){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Si<4>,1|H<1>}	106.4537	0.163	3	106.4537	0.027	3	106.4909	0.074	7	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]Si)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(SiN[5]CC)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]Si)(N[5]C[5]C)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(SiN[5]CC){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Si<4>,1|H<1>}	106.2915	0.095	2	106.2915	0.009	2	106.4909	0.074	7	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]Si)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(SiN[5]CH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]Si)(N[5]C[5]C)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(SiN[5]CH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Si<4>,1|H<1>}	106.7460	0.407	2	106.7460	0.166	2	106.4909	0.074	7	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](N[5]C[5]Co)(C[5]N[5]S)(CC[6]HH)	N[5](C[5]N[5]H)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|Co<6>,1|H<1>}	N[5](N[5]C[5]Co)(C[5]N[5]S)(CC[6]HH){1|C<4>,1|H<1>}	N[5](C[5]N[5]H)(C[5]N[5]S)(CCHH){1|Co<6>,1|C<4>}	102.7470	0.000	1	102.7470	0.000	1	102.7470	0.000	1	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(Se)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH)	C[5](N[5]C[5,6]C)2(Se){2|P<2>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH){1|C<3>,1|C<4>,1|P<2>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH){1|C<3>,1|C<4>,1|P<2>}	105.9955	0.329	2	105.8642	0.096	4	105.8642	0.096	4	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(Se)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH)	C[5](N[5]C[5,6]C)2(Se){2|P<3>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|P<3>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|P<3>}	105.7330	0.334	2	105.8642	0.096	4	105.8642	0.096	4	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C[5](N[5]C[5,6a]C)2(Se){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	107.1865	0.463	2	107.1865	0.215	2	106.6812	0.373	11	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3)	C[5](N[5]C[5,6a]C)2(Se){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3){1|C<4>,1|H<1>,2|C<3>}	105.5800	0.000	1	105.5800	0.000	1	106.6812	0.373	11	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C[5](N[5]C[5,6a]C)2(Se){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	106.9100	0.475	3	106.9100	0.226	3	106.6812	0.373	11	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C[5](N[5]C[5,6a]C)2(Se){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){1|C<4>,1|H<1>,2|C<3>}	106.7668	0.304	4	106.7668	0.093	4	106.6812	0.373	11	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C[5](N[5]C[5,6a]C)2(Se){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){1|C<4>,1|H<1>,2|C<3>}	105.7430	0.000	1	105.7430	0.000	1	106.6812	0.373	11	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(Se)	N[5](C[5]N[5]Se)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Se)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(Se){2|C<3>}	N[5](C[5]N[5]Se)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	105.7805	0.692	2	105.7805	0.479	2	106.1218	0.676	14	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(Se)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C[5](N[5]C[5]C)2(Se){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	105.8050	0.000	1	105.8050	0.000	1	106.1218	0.676	14	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(Se)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(Se){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.0732	0.519	6	106.0732	0.269	6	106.1218	0.676	14	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(Se)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C[5](N[5]C[5]C)2(Se){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	105.2220	0.409	2	105.2220	0.167	2	106.1218	0.676	14	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(Se)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(Se){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	107.1520	0.906	3	107.1520	0.822	3	106.1218	0.676	14	108.8290	2.883	1091	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH)	N[5](C[5]C[5]CH)(C[5]N[5]O)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH){1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	107.1975	0.243	2	107.1975	0.059	2	107.4022	0.045	6	107.3988	0.035	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5]C[5]CC)(C[5]N[5]O)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|C<4>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	107.5045	0.118	4	107.5045	0.014	4	107.4022	0.045	6	107.3988	0.035	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	4:3:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]CH)(C[5]N[5]S)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]S)(H){1|C<4>,1|O<1>}	107.4500	0.000	1	107.4500	0.000	1	107.3938	0.028	4	107.3988	0.035	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	4:3:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]CN)(C[5]N[5]S)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<4>,1|N<3>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,1|N<3>}	N[5](C[5]C[5]CN)(C[5]N[5]S)(H){1|C<4>,1|O<1>}	107.4905	0.023	2	107.4905	0.001	2	107.3938	0.028	4	107.3988	0.035	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	4:3:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH)	N[5](C[5]C[5]CH)(C[5]N[5]S)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]S)(H){1|C<4>,1|O<1>}	107.1440	0.000	1	107.1440	0.000	1	107.3938	0.028	4	107.3988	0.035	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	4:3:2:	N[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:N-2:	C[5](N[5]C[5]C)(N[5]C[5]N)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	N[5](C[5]C[5]HH)(C[5]N[5]O)(NC)	C[5](N[5]C[5]C)(N[5]C[5]N)(O){1|O<1>,2|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|N<2>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(NC){1|C<4>,1|O<1>}	106.1310	0.000	1	106.1310	0.000	1	106.1310	0.000	1	106.1310	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	4:3:3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCH)	C[5](N[5]C[5]C)2(S){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCH){1|C<4>,1|O<1>}	107.2840	0.000	1	107.2840	0.000	1	107.2840	0.000	1	107.2840	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:2:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(CC[6a]2H)(N[5]C[5])	N[5](C[5]N[5]H)2(H)	C[5](N[5]C[5]H)(N[5]N[5]C)(H){1|H<1>}	N[5](C[5]N[5]H)(CC[6a]2H)(N[5]C[5]){2|H<1>}	N[5](C[5]N[5]H)2(H){1|C<4>}	107.6970	0.000	1	107.6970	0.000	1	107.6970	0.000	1	107.6970	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:2:	3:3:2:	N[5]-3:N[5]-3:S-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<3>}	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<3>,1|N<2>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC){1|C<4>,2|C<3>}	102.3376	0.365	5	102.3376	0.133	5	102.0580	0.179	11	102.0580	0.179	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:2:	3:3:2:	N[5]-3:N[5]-3:S-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	N[5](C[5]N[5]C)(C[5]N[5]S)(NC)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<2>}	N[5](C[5]N[5]C)(C[5]N[5]S)(NC){1|C<4>}	101.8250	0.328	6	101.8250	0.108	6	102.0580	0.179	11	102.0580	0.179	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:2:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(CC[5a]CH)(N[5]C[5])	N[5](C[5]N[5]C)(C[5]N[5]S)(NHH)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]N[5]S)(CC[5a]CH)(N[5]C[5]){1|C<4>,1|N<3>}	N[5](C[5]N[5]C)(C[5]N[5]S)(NHH){1|C<4>}	102.7770	0.000	1	102.7770	0.000	1	103.0320	0.052	4	103.0320	0.052	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:2:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	N[5](C[5]N[5]C)(C[5]N[5]S)(NHH)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<3>}	N[5](C[5]N[5]C)(C[5]N[5]S)(NHH){1|C<4>}	103.1170	0.186	3	103.1170	0.035	3	103.0320	0.052	4	103.0320	0.052	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:2:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	N[5](C[5]N[5]H)2(CC[6a]HH)	C[5](N[5]C[5]C)(N[5]N[5]C)(H){1|H<1>}	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|H<1>}	N[5](C[5]N[5]H)2(CC[6a]HH){1|C<4>}	105.8200	0.000	1	105.8200	0.000	1	105.8200	0.000	1	105.8200	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-4:C[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]C[5])(N[5]C[5,6]H)(H)	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]2H)(C[5]N[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5,6]C[5])(N[5]C[5,6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]2H)(C[5]N[5]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Cl<1>,1|C<4>,2|N<3>}	114.7910	0.000	1	114.7910	0.000	1	114.7910	0.000	1	109.4517	21.410	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(O){1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<3>,2|H<1>}	106.9520	0.000	1	106.9520	0.000	1	106.9520	0.000	1	109.4517	21.410	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]H)(S){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]S){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	106.6120	0.000	1	106.6120	0.000	1	106.6120	0.000	1	109.4517	21.410	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(CC[3x6]HH)(C[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(CC[3x6]HH)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	110.5730	0.000	1	110.5730	0.000	1	110.4533	0.057	3	108.8462	3.149	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.3935	0.303	2	110.3935	0.092	2	110.4533	0.057	3	108.8462	3.149	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[3x6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C[3x6])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C[5](N[5]C[5,6a]C[3x6])(N[5]C[5,6a]C)(H){2|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]H){2|C<3>,4|C<4>,7|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	111.5940	0.000	1	111.5940	0.000	1	111.5940	0.000	1	108.8462	3.149	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]H){2|C<3>,3|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	110.6880	0.000	1	110.6880	0.000	1	110.6880	0.000	1	108.8462	3.149	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]H){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH){1|C<4>,3|C<3>}	108.4185	0.889	2	108.4185	0.790	2	108.4185	0.790	2	108.8462	3.149	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CHHO)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CHHO){1|C<3>,2|H<1>}	107.2970	0.000	1	107.2970	0.000	1	107.2970	0.000	1	108.8462	3.149	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[5]HH)	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(S){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]S){2|C<3>,3|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	107.0510	0.006	2	107.0510	0.000	2	107.0510	0.000	2	108.8462	3.149	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCCH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCCH){1|C<3>,1|C<4>,1|H<1>}	107.1910	0.000	1	107.1910	0.000	1	107.1385	0.006	2	108.8462	3.149	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	107.0860	0.000	1	107.0860	0.000	1	107.1385	0.006	2	108.8462	3.149	12	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:Br-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(Br)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Br)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Br)	C[5](N[5]C[6a]C[5])2(Br){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Br){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Br){2|C<4>,2|H<1>,3|C<3>}	114.3620	0.124	2	114.3620	0.015	2	114.3620	0.015	2	111.6561	8.696	38	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){4|C<3>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H){1|C<4>,2|H<1>,4|C<3>}	113.5400	0.000	1	113.5400	0.000	1	113.9373	0.418	20	111.6561	8.696	38	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|H<1>,3|C<3>,3|C<4>}	113.9860	0.000	1	113.9860	0.000	1	113.9373	0.418	20	111.6561	8.696	38	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|C<4>,3|C<3>,3|H<1>}	115.4590	0.000	1	113.9567	0.458	18	113.9373	0.418	20	111.6561	8.696	38	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|O<2>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|O<2>,3|C<3>,3|H<1>}	113.6607	0.375	3	113.9567	0.458	18	113.9373	0.418	20	111.6561	8.696	38	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<4>,2|H<1>,3|C<3>}	113.9128	0.617	14	113.9567	0.458	18	113.9373	0.418	20	111.6561	8.696	38	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:O-1:	C[4]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[4]C[5])(O)	N[5](C[4]C[4]N[4])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(N[5]C[4]C[5])(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[4]C[4]N[4])(C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	106.9745	0.322	2	106.9745	0.104	2	106.9745	0.104	2	111.6561	8.696	38	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:O-1:	C[5a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[5a]C[5])(N[5]C[6a]C[5])(O)	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HO)(C[5]N[5]O)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O)	C[5](N[5]C[5a]C[5])(N[5]C[6a]C[5])(O){1|N<2>,1|S<2>,2|C<3>,2|H<1>,2|O<2>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HO)(C[5]N[5]O){1|H<1>,1|O<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O){1|O<2>,3|C<3>,3|H<1>}	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	111.6561	8.696	38	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(O)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])2(O){1|C<4>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,4|H<1>}	107.5378	0.327	4	107.5378	0.107	4	107.5378	0.107	4	111.6561	8.696	38	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])2(S){2|H<1>,2|O<2>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	109.0210	0.197	3	108.7518	0.316	4	108.7518	0.316	4	111.6561	8.696	38	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])2(S){2|H<1>,2|O<2>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S){1|O<2>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S){1|O<2>,3|C<3>,3|H<1>}	107.9440	0.000	1	108.7518	0.316	4	108.7518	0.316	4	111.6561	8.696	38	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:Se-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(Se)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	C[5](N[5]C[6a]C[5])2(Se){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	109.9010	2.007	4	109.9010	4.027	4	109.8122	3.060	5	111.6561	8.696	38	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:Se-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(Se)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]Se)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]Se)	C[5](N[5]C[6a]C[5])2(Se){2|H<1>,2|O<2>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]Se){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]Se){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	109.4570	0.000	1	109.4570	0.000	1	109.8122	3.060	5	111.6561	8.696	38	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	4:3:1:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]2)(N[5]C[5]H)(S)	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	C[5](N[5]C[5]2)(N[5]C[5]H)(S){1|C<4>,1|N<2>,4|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]S){1|N<3>,3|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|C<3>,2|H<1>}	107.2110	0.000	1	107.2110	0.000	1	107.2110	0.000	1	107.2110	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	4:3:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){1|H<1>,2|C<4>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]H){1|H<1>,2|C<4>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){4|C<4>,5|C<3>}	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	4:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	N[5](C[5]C[5]CH)(C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5]CH)(C[5]N[5]H)(CH3){1|C<3>,2|H<1>}	114.1215	1.329	2	114.1215	1.765	2	114.1188	0.443	5	110.8736	12.144	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	4:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH){1|C<3>,2|H<1>}	114.1035	0.081	2	114.1035	0.007	2	114.1188	0.443	5	110.8736	12.144	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	4:3:4:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	N[5](C[5]C[5]HH)(C[5]N[5]H)(CN[5]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(CN[5]HH){1|C<3>,2|H<1>}	114.1440	0.000	1	114.1440	0.000	1	114.1188	0.443	5	110.8736	12.144	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(O)	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(O){1|N<2>,1|S<2>,4|H<1>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH){1|C<3>,2|H<1>}	107.3470	0.000	1	107.3470	0.000	1	107.3470	0.000	1	110.8736	12.144	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:S-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]S)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(SC[6a]OO)	C[5](N[5]C[6a]C[5])(N[5]C[5]S)(O){1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(SC[6a]OO){2|H<1>,3|C<3>}	106.7030	0.000	1	106.7030	0.000	1	106.7030	0.000	1	110.8736	12.144	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	4:3:4:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){1|C<3>,2|H<1>}	107.3190	0.000	1	107.3190	0.000	1	108.0307	0.394	3	110.8736	12.144	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	4:3:4:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3){1|C<3>,2|H<1>}	108.3865	0.169	2	108.3865	0.029	2	108.0307	0.394	3	110.8736	12.144	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[4,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[4,5]H)(N[5]C[5]H)(O)	N[5](C[4,5]C[4]2C[5])(C[5]N[5]O)(H)	N[5](C[5]C[4,5]N)(C[5]N[5]O)(H)	C[5](N[5]C[4,5]H)(N[5]C[5]H)(O){1|N<2>,2|C<4>}	N[5](C[4,5]C[4]2C[5])(C[5]N[5]O)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5](C[5]C[4,5]N)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	105.8840	0.000	1	105.8840	0.000	1	105.8840	0.000	1	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5,5]H)(N[5]C[5]H)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5,5]H)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	106.8155	0.511	2	106.8155	0.261	2	106.9587	0.192	3	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5,5]H)(N[5]C[5]H)(O)	N[5](C[5,5]C[5]3)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5,5]H)(N[5]C[5]H)(O){1|O<1>,2|C<4>}	N[5](C[5,5]C[5]3)(C[5]N[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	107.2450	0.000	1	107.2450	0.000	1	106.9587	0.192	3	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]H)(N[5]C[5]H)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(H)	C[5](N[5]C[5,6]H)(N[5]C[5]H)(O){1|O<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	107.6760	0.000	1	107.3107	0.039	8	107.3329	0.039	9	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]H)(N[5]C[5]H)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(H)	C[5](N[5]C[5,6]H)(N[5]C[5]H)(O){1|O<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	107.2586	0.143	7	107.3107	0.039	8	107.3329	0.039	9	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]H)(N[5]C[5]H)(O)	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(H)	C[5](N[5]C[5,6]H)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	107.5100	0.000	1	107.5100	0.000	1	107.3329	0.039	9	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:Br-1:	C[5]-3:C[5]-3:Br-1:	C[5](N[5]C[5]Br)2(O)	N[5](C[5]C[5]CC)(C[5]N[5]O)(Br)	N[5](C[5]C[5]O)(C[5]N[5]O)(Br)	C[5](N[5]C[5]Br)2(O){1|O<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]O)(Br){1|Br<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(Br){1|Br<1>,2|C<4>}	105.0120	0.370	3	105.0120	0.137	3	105.0120	0.137	3	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(O)	N[5](C[5]C[5]CC)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5]H)2(O){1|O<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]O)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	107.1623	0.317	3	107.1623	0.100	3	107.3818	0.146	20	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5]H)2(O){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	107.4408	0.205	5	107.4408	0.042	5	107.3818	0.146	20	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5]H)2(O){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){3|H<1>}	107.4543	0.471	3	107.4543	0.222	3	107.3818	0.146	20	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5]H)2(O){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	108.1390	0.000	1	107.4271	0.245	8	107.3818	0.146	20	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5]H)2(O){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	107.2613	0.440	6	107.4271	0.245	8	107.3818	0.146	20	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5]H)2(O){1|O<1>,2|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|H<1>,2|C<3>}	107.7100	0.000	1	107.4271	0.245	8	107.3818	0.146	20	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(O)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<3>,2|H<1>}	107.1640	0.000	1	107.1640	0.000	1	107.3818	0.146	20	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5,5]H)(N[5]C[5]H)(S)	N[5](C[5,5]C[5]3)(C[5]N[5]S)(H)	N[5](C[5]C[5,5]S)(C[5]N[5]S)(H)	C[5](N[5]C[5,5]H)(N[5]C[5]H)(S){1|S<1>,2|C<4>}	N[5](C[5,5]C[5]3)(C[5]N[5]S)(H){1|S<1>,2|C<4>,5|H<1>}	N[5](C[5]C[5,5]S)(C[5]N[5]S)(H){1|H<1>,2|C<4>}	107.5320	0.000	1	107.5320	0.000	1	107.5320	0.000	1	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]H)(N[5]C[5]H)(S)	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)(H)	N[5](C[5]C[5,6]S)(C[5]N[5]S)(H)	C[5](N[5]C[5,6]H)(N[5]C[5]H)(S){1|S<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)(H){1|S<1>,2|C<4>,5|H<1>}	N[5](C[5]C[5,6]S)(C[5]N[5]S)(H){1|H<1>,2|C<4>}	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(S)	N[5](C[5]C[5]CC)(C[5]N[5]S)(H)	N[5](C[5]C[5]S)(C[5]N[5]S)(H)	C[5](N[5]C[5]H)2(S){1|S<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]S)(H){1|H<1>,1|S<1>}	N[5](C[5]C[5]S)(C[5]N[5]S)(H){1|H<1>,2|C<4>}	106.7030	0.000	1	106.7030	0.000	1	107.0185	0.104	4	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(S)	N[5](C[5]C[5]CH)(C[5]N[5]S)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	C[5](N[5]C[5]H)2(S){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]S)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){1|C<4>,2|H<1>}	107.3770	0.000	1	107.3770	0.000	1	107.0185	0.104	4	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	C[5](N[5]C[5]H)2(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){3|H<1>}	107.1990	0.000	1	107.1990	0.000	1	107.0185	0.104	4	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(S)	N[5](C[5]C[6a]2C[5])(C[5]N[5]S)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	C[5](N[5]C[5]H)2(S){1|O<1>,2|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]N[5]S)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){1|H<1>,2|C<3>}	106.7950	0.000	1	106.7950	0.000	1	107.0185	0.104	4	107.0986	0.511	42	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:2:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[5]H)(N[5]C[5]N)(O)	N[5](C[5]C[5]CC)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(NC)	C[5](N[5]C[5]H)(N[5]C[5]N)(O){1|O<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]O)(H){1|N<2>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(NC){1|H<1>,2|C<4>}	106.4260	0.649	4	106.4260	0.421	4	106.3717	0.284	6	106.3717	0.284	6	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:2:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[5]H)(N[5]C[5]N)(O)	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(NC)	C[5](N[5]C[5]H)(N[5]C[5]N)(O){1|O<1>,2|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H){1|N<2>,1|O<1>,4|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(NC){1|H<1>,2|C<3>}	106.2630	0.345	2	106.2630	0.119	2	106.3717	0.284	6	106.3717	0.284	6	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:3:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CC[6a]O)	C[5](N[5]C[5,6]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CC[6a]O){1|H<1>,2|C<4>}	107.2265	0.129	2	107.2265	0.017	2	107.2265	0.017	2	106.5784	0.315	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:3:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5,6]H)(N[5]C[5]N)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(NHH)	C[5](N[5]C[5,6]H)(N[5]C[5]N)(O){1|O<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(NHH){1|H<1>,2|C<4>}	106.4297	0.281	3	106.4297	0.079	3	106.4297	0.079	3	106.5784	0.315	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:3:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O){3|H<1>}	107.0730	0.000	1	107.0730	0.000	1	107.0730	0.000	1	106.5784	0.315	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:3:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]H)(N[5]C[5]N)(O)	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(NHH)	C[5](N[5]C[5]H)(N[5]C[5]N)(O){1|O<1>,2|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H){1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(NHH){1|H<1>,2|C<3>}	106.0765	0.172	2	106.0765	0.030	2	106.4133	0.355	3	106.5784	0.315	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:3:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]H)(N[5]C[5]N)(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(NHH)	C[5](N[5]C[5]H)(N[5]C[5]N)(O){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	107.0870	0.000	1	107.0870	0.000	1	106.4133	0.355	3	106.5784	0.315	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]H)(N[5]C[5]N)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(NCH)	C[5](N[5]C[5]H)(N[5]C[5]N)(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|N<3>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(NCH){3|H<1>}	105.7290	0.000	1	105.7290	0.000	1	105.7290	0.000	1	106.5784	0.315	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,5]H)(N[5]C[5]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)	C[5](N[5]C[5,5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	106.7500	0.781	3	106.7500	0.610	3	106.9902	0.333	6	107.3752	0.176	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,5]H)(N[5]C[5]C)(O)	N[5](C[5,5]C[5]3)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CC[6a]HH)	C[5](N[5]C[5,5]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>}	N[5](C[5,5]C[5]3)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<4>}	107.4590	0.000	1	107.2303	0.048	3	106.9902	0.333	6	107.3752	0.176	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,5]H)(N[5]C[5]C)(O)	N[5](C[5,5]C[5]3)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CC[6a]HH)	C[5](N[5]C[5,5]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>}	N[5](C[5,5]C[5]3)(C[5]N[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<4>}	107.1160	0.136	2	107.2303	0.048	3	106.9902	0.333	6	107.3752	0.176	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CCHH)	C[5](N[5]C[5,6]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<4>}	106.9915	0.124	2	106.9915	0.015	2	107.2882	0.104	5	107.3752	0.176	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CC[6a]HH)	C[5](N[5]C[5,6]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<4>}	107.4860	0.232	3	107.4860	0.054	3	107.2882	0.104	5	107.3752	0.176	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:S-4:	C[5](N[5]C[5,6]H)(N[5]C[5]S)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(SC[6a]OO)	C[5](N[5]C[5,6]H)(N[5]C[5]S)(O){1|O<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H){1|O<1>,1|S<4>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(SC[6a]OO){1|H<1>,2|C<4>}	107.2760	0.049	2	107.2760	0.002	2	107.2760	0.002	2	107.3752	0.176	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|N<2>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|N<2>}	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH){3|H<1>}	107.2700	0.000	1	107.2700	0.000	1	107.5883	0.043	10	107.3752	0.176	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<3>}	107.5998	0.193	6	107.5998	0.037	6	107.5883	0.043	10	107.3752	0.176	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<3>}	107.5580	0.059	2	107.5580	0.004	2	107.5883	0.043	10	107.3752	0.176	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	107.8980	0.000	1	107.8980	0.000	1	107.5883	0.043	10	107.3752	0.176	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,5,6]H)(N[5]C[5]C)(S)	N[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]N[5]S)(H)	N[5](C[5]C[5,5,6]O)(C[5]N[5]S)(CC[6a]HH)	C[5](N[5]C[5,5,6]H)(N[5]C[5]C)(S){1|O<1>,2|C<4>}	N[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]N[5]S)(H){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5,6]O)(C[5]N[5]S)(CC[6a]HH){1|H<1>,2|C<4>}	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	107.3752	0.176	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){3|H<1>}	108.1530	0.000	1	108.1530	0.000	1	107.6243	0.261	3	107.3752	0.176	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH){3|H<1>}	107.5870	0.000	1	107.5870	0.000	1	107.6243	0.261	3	107.3752	0.176	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[6a]2C[5])(C[5]N[5]S)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|O<1>,2|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]N[5]S)(H){1|C<4>,1|O<1>,4|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|H<1>,2|C<3>}	107.1330	0.000	1	107.1330	0.000	1	107.6243	0.261	3	107.3752	0.176	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[4,5]-4:C[5]-3:H-1:	C[4,5]-4:C[5]-3:H-1:	C[5](N[5]C[4,5]H)2(O)	N[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(H)	N[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(H)	C[5](N[5]C[4,5]H)2(O){2|C<4>,2|H<1>}	N[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(H){2|C<4>,3|H<1>}	N[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(H){2|C<4>,3|H<1>}	108.6020	0.000	1	108.6020	0.000	1	108.6020	0.000	1	108.9877	1.071	45	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,5,6]H)2(O)	N[5](C[5,5,6]C[5,5,6]C[6,6]N[5])(C[5]N[5]O)(H)	N[5](C[5,5,6]C[5,5,6]C[6,6]N[5])(C[5]N[5]O)(H)	C[5](N[5]C[5,5,6]H)2(O){2|C<3>,2|N<3>}	N[5](C[5,5,6]C[5,5,6]C[6,6]N[5])(C[5]N[5]O)(H){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,5,6]C[5,5,6]C[6,6]N[5])(C[5]N[5]O)(H){1|N<3>,2|H<1>,4|C<3>}	108.1737	1.204	4	108.1737	1.449	4	108.2456	1.113	5	108.9877	1.071	45	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,5,6]H)2(O)	N[5](C[5,5,6]C[5,5,6]C[6,6a]N[5])(C[5]N[5]O)(H)	N[5](C[5,5,6]C[5,5,6]C[6,6a]N[5])(C[5]N[5]O)(H)	C[5](N[5]C[5,5,6]H)2(O){2|C<3>,2|N<3>}	N[5](C[5,5,6]C[5,5,6]C[6,6a]N[5])(C[5]N[5]O)(H){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,5,6]C[5,5,6]C[6,6a]N[5])(C[5]N[5]O)(H){1|N<3>,2|H<1>,4|C<3>}	108.5330	0.000	1	108.5330	0.000	1	108.2456	1.113	5	108.9877	1.071	45	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]H)2(O)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5,5]H)2(O){1|H<1>,1|O<2>,2|C<4>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(H){2|C<4>,4|H<1>}	109.0450	0.000	1	109.0450	0.000	1	108.9234	0.053	7	108.9877	1.071	45	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]H)2(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[5,5]H)2(O){2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|S<2>,4|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|S<2>,2|C<4>,3|H<1>}	109.1400	0.000	1	109.1400	0.000	1	108.9234	0.053	7	108.9877	1.071	45	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]H)2(O)	N[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(H)	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5,5]H)2(O){2|C<3>,2|O<2>}	N[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	108.4480	0.000	1	108.4480	0.000	1	108.9234	0.053	7	108.9877	1.071	45	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]H)2(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H)	C[5](N[5]C[5,5]H)2(O){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H){1|N<3>,2|H<1>,4|C<3>}	108.9320	0.109	2	108.9320	0.012	2	108.9234	0.053	7	108.9877	1.071	45	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]H)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[5,5]H)2(O){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,3|H<1>}	109.0570	0.000	1	109.0570	0.000	1	108.9234	0.053	7	108.9877	1.071	45	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]H)2(O)	N[5](C[5,5]C[5,5]N[5]N)(C[5]N[5]O)(H)	N[5](C[5,5]C[5,5]N[5]N)(C[5]N[5]O)(H)	C[5](N[5]C[5,5]H)2(O){4|N<3>}	N[5](C[5,5]C[5,5]N[5]N)(C[5]N[5]O)(H){1|C<3>,2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]N)(C[5]N[5]O)(H){1|C<3>,2|H<1>,2|N<3>}	108.9100	0.000	1	108.9100	0.000	1	108.9234	0.053	7	108.9877	1.071	45	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,6,6]H)2(O)	N[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]N[5]O)(H)	N[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]N[5]O)(H)	C[5](N[5]C[5,6,6]H)2(O){1|C<3>,1|N<3>,2|O<2>}	N[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	N[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]N[5]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	108.5220	0.438	2	108.5220	0.192	2	108.5220	0.192	2	108.9877	1.071	45	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,6]H)2(O)	N[5](C[5,6]C[6,6a]C[5,6]O)(C[5]N[5]O)(H)	N[5](C[5,6]C[5,6]C[6,6]O)(C[5]N[5]O)(H)	C[5](N[5]C[5,6]H)2(O){2|C<3>,2|O<2>}	N[5](C[5,6]C[6,6a]C[5,6]O)(C[5]N[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5,6]C[5,6]C[6,6]O)(C[5]N[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	108.5030	0.000	1	108.5030	0.000	1	108.5030	0.000	1	108.9877	1.071	45	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(H)	C[5](N[5]C[5]H)2(O){2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	109.0090	0.000	1	109.0090	0.000	1	109.0810	1.321	25	108.9877	1.071	45	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](N[5]C[5]H)2(O){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){3|H<1>}	109.1003	1.227	22	109.1003	1.506	22	109.0810	1.321	25	108.9877	1.071	45	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)	C[5](N[5]C[5]H)2(O){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H){2|C<3>,3|H<1>}	108.8670	0.000	1	108.8670	0.000	1	109.0810	1.321	25	108.9877	1.071	45	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(O)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[5]H)2(O){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H){2|H<1>,3|C<3>}	108.9420	0.000	1	108.9420	0.000	1	109.0810	1.321	25	108.9877	1.071	45	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	C[5](N[5]C[5]H)2(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	110.3940	0.430	3	110.3940	0.185	3	109.8948	1.120	4	108.9877	1.071	45	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(S)	N[5](C[5]C[5]HO)(C[5]N[5]S)(H)	N[5](C[5]C[5]HO)(C[5]N[5]S)(H)	C[5](N[5]C[5]H)2(S){2|H<1>,2|O<2>}	N[5](C[5]C[5]HO)(C[5]N[5]S)(H){1|O<2>,2|H<1>}	N[5](C[5]C[5]HO)(C[5]N[5]S)(H){1|O<2>,2|H<1>}	108.3970	0.000	1	108.3970	0.000	1	109.8948	1.120	4	108.9877	1.071	45	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CCO)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CCO){1|C<4>,1|S<2>,4|H<1>}	107.0160	0.000	1	107.0160	0.000	1	107.0160	0.000	1	106.6692	0.385	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCO)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCO){3|H<1>}	105.6860	0.000	1	105.6860	0.000	1	106.5825	0.463	4	106.6692	0.385	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(COO)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(COO){3|H<1>}	106.4240	0.000	1	106.4240	0.000	1	106.5825	0.463	4	106.6692	0.385	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(COO)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(COO){3|H<1>}	107.0680	0.000	1	107.0680	0.000	1	106.5825	0.463	4	106.6692	0.385	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HS)(C[5]N[5]O)(H)	N[5](C[5]C[5]HO)(C[5]N[5]O)(CCO)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<2>,1|S<2>,2|H<1>}	N[5](C[5]C[5]HS)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<2>}	N[5](C[5]C[5]HO)(C[5]N[5]O)(CCO){1|S<2>,2|H<1>}	107.1520	0.000	1	107.1520	0.000	1	106.5825	0.463	4	106.6692	0.385	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(CH3)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){1|H<1>,1|O<2>,2|C<4>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	N[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(CH3){2|C<4>,4|H<1>}	108.7367	0.327	3	108.7367	0.107	3	108.7367	0.107	3	108.1686	1.372	8	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3){3|H<1>}	108.6410	0.000	1	108.6410	0.000	1	108.1537	0.204	3	108.1686	1.372	8	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH){3|H<1>}	107.7480	0.000	1	107.7480	0.000	1	108.1537	0.204	3	108.1686	1.372	8	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){3|H<1>}	108.0720	0.000	1	108.0720	0.000	1	108.1537	0.204	3	108.1686	1.372	8	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	109.1610	0.000	1	109.1610	0.000	1	109.1610	0.000	1	108.1686	1.372	8	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5](N[5]C[5]H)(N[5]C[5]S)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(SC[6a]OO)	C[5](N[5]C[5]H)(N[5]C[5]S)(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|S<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(SC[6a]OO){3|H<1>}	105.5170	0.000	1	105.5170	0.000	1	105.5170	0.000	1	108.1686	1.372	8	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:2:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:N-2:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]C[5]N)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(NC)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5]H)(N[5]C[5]N)(O){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(NC){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|N<2>,2|H<1>}	106.0968	0.457	19	106.0968	0.208	19	106.0968	0.208	19	106.0968	0.208	19	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:2:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[6]-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6]N[5])(N[5]C[5]C)(O)	N[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5])	N[5](C[5]N[5]O)2(CH3)	C[5](N[5]C[6]N[5])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]N[5]O)2(CH3){1|C<4>}	104.1370	0.000	1	104.1370	0.000	1	104.1370	0.000	1	104.1370	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:2:	4:3:2:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:O-2:	C[5](N[5]C[5]O)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(OH)	N[5](C[5]C[5]CH)(C[5]N[5]O)(OH)	C[5](N[5]C[5]O)2(O){1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(OH){1|O<2>,2|H<1>}	107.4340	0.000	1	107.4340	0.000	1	107.4340	0.000	1	107.4340	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[4]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[4]C[5])(N[5]C[5]H)(H)	N[5](C[4]C[4]2C)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[4]C[5])(N[5]C[5]H)(H){2|H<1>,3|C<4>}	N[5](C[4]C[4]2C)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,6|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	108.2760	0.000	1	108.2760	0.000	1	108.2760	0.000	1	107.4417	1.688	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]2)(N[5]C[5]H)(H)	N[5](C[5]C[5]2C)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]2)(N[5]C[5]H)(H){2|H<1>,3|C<4>}	N[5](C[5]C[5]2C)(C[5]C[5]H)(C[5]N[5]H){2|C<4>,6|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	108.8240	0.000	1	108.8240	0.000	1	108.8240	0.000	1	107.4417	1.688	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCO)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCO){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){1|C<3>,2|H<1>}	106.3010	0.000	1	106.3010	0.000	1	106.3335	0.002	2	107.4417	1.688	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]S)(CCO)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]S)(CCO){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){1|H<1>,2|C<3>}	106.3660	0.000	1	106.3660	0.000	1	106.3335	0.002	2	107.4417	1.688	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[3x6]C[5])(N[5]C[6a]C[5])(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[3x6]C[5])(N[5]C[6a]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H){1|C<3>,3|C<4>,7|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){2|C<3>,2|C<4>,2|H<1>}	108.1095	0.499	2	108.1095	0.249	2	107.7270	0.563	3	108.0435	0.776	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[3x6]C[5])(N[5]C[6a]C[5])(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(C[5]N[5]H)	C[5](N[5]C[3x6]C[5])(N[5]C[6a]C[5])(H){1|Ir<6>,1|H<1>,2|C<3>,3|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H){1|Ir<6>,1|C<3>,3|C<4>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	106.9620	0.000	1	106.9620	0.000	1	107.7270	0.563	3	108.0435	0.776	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(N[5]C[5]2)(H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,3|C<4>}	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	108.0435	0.776	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(H)	N[5](BC[6]N[5]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C[5](N[5]C[5]B)(N[5]C[5]C)(H){2|H<1>}	N[5](BC[6]N[5]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|B<4>,1|H<1>}	110.0377	0.231	3	110.0377	0.054	3	110.2360	0.101	5	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(H)	N[5](BC[6a]2N[5])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(H){2|H<1>}	N[5](BC[6a]2N[5])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|B<4>,1|H<1>}	110.4910	0.000	1	110.4910	0.000	1	110.2360	0.101	5	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(H)	N[5](BC[6a]C[5]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(H){2|H<1>}	N[5](BC[6a]C[5]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|B<4>,1|H<1>}	110.5760	0.000	1	110.5760	0.000	1	110.2360	0.101	5	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	B[5a]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(H)	N[5](B[5a]C[6a]O[5a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(H){1|C<3>,2|H<1>,2|O<2>}	N[5](B[5a]C[6a]O[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|B<4>,1|H<1>}	109.9265	0.093	2	109.9265	0.009	2	109.9922	0.009	6	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	B[5a]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(H)	N[5](B[5a]C[6a]O[5a]2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(H){1|C<3>,2|H<1>,2|O<2>}	N[5](B[5a]C[6a]O[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<4>,1|H<1>}	110.0250	0.086	4	110.0250	0.007	4	109.9922	0.009	6	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	B[6,6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]B[6,6]C[5])(N[5]C[5]C)(H)	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]B[6,6]C[5])(N[5]C[5]C)(H){1|N<3>,2|C<4>,2|H<1>}	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]H){2|C<3>,3|H<1>,5|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<4>,1|H<1>}	109.9254	1.481	7	109.9254	2.192	7	109.9254	2.192	7	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	B[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]B[6]C[5])(N[5]C[5]C)(H)	N[5](B[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]B[6]C[5])(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	N[5](B[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<4>,1|H<1>}	110.1248	0.371	4	110.1248	0.138	4	110.1248	0.138	4	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](CC[3x4,3x6]HH)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](CC[3x4,3x6]HH)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	108.6560	0.000	1	108.6560	0.000	1	108.1283	0.109	7	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](CC[6a]N[5]H)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](CC[6a]N[5]H)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	108.0403	0.256	6	108.0403	0.066	6	108.1283	0.109	7	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[3x6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[3x6]C[5])(N[5]C[5]C)(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[3x6]C[5])(N[5]C[5]C)(H){2|H<1>,3|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H){4|C<4>,7|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	109.0670	0.153	2	109.0670	0.023	2	109.0670	0.023	2	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,5]C[5]H)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](N[5]C[5]2)(N[5]C[5]C)(H){2|C<4>,3|H<1>}	N[5](C[5]C[5,5]C[5]H)(C[5]C[5]H)(C[5]N[5]H){2|C<4>,2|O<2>,4|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	109.3425	0.121	4	109.3425	0.015	4	108.3577	1.489	12	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,5]C[5]H)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]2)(N[5]C[5]C)(H){2|C<4>,3|H<1>}	N[5](C[5]C[5,5]C[5]H)(C[5]C[5]H)(C[5]N[5]H){2|C<4>,2|O<2>,4|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	107.1695	1.476	4	107.1695	2.178	4	108.3577	1.489	12	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]2Fe)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]2)(N[5]C[5]C)(H){1|Fe<10>,2|C<4>,2|H<1>}	N[5](C[5]C[5]2Fe)(C[5]C[5]H)(C[5]N[5]H){3|C<4>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	108.6190	0.000	1	108.6190	0.000	1	108.3577	1.489	12	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]2Fe)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]2)(N[5]C[5]C)(H){1|Fe<10>,2|C<4>,2|H<1>}	N[5](C[5]C[5]2Fe)(C[5]C[5]H)(C[5]N[5]H){3|C<4>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	108.6295	0.237	2	108.6295	0.056	2	108.3577	1.489	12	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]2)(N[5]C[5]C)(H){2|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]H)(C[5]N[5]H){3|C<4>,5|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	108.3670	0.000	1	108.3670	0.000	1	108.3577	1.489	12	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H){2|C<4>,3|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H){1|O<2>,3|C<4>,4|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	108.6570	0.000	1	108.6570	0.000	1	108.6570	0.000	1	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	Si[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]Si[6]C[5])(N[5]C[5]C)(H)	N[5](Si[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]Si[6]C[5])(N[5]C[5]C)(H){1|N<3>,2|C<4>,2|H<1>}	N[5](Si[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H){2|C<3>,3|C<4>,5|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Si<4>,1|H<1>}	109.8715	0.684	2	109.8715	0.468	2	109.8715	0.468	2	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,5]C[6a])(N[5]C[5]C)(O)	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)	C[5](N[5]C[5,5]C[6a])(N[5]C[5]C)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	107.1510	0.000	1	107.1510	0.000	1	107.1510	0.000	1	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3)	C[5](N[5]C[5]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3){1|H<1>,2|C<3>}	107.0090	0.000	1	107.0090	0.000	1	107.0090	0.000	1	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]N)(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(NCH)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]N)(O){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	106.2453	0.392	3	106.2453	0.154	3	106.2453	0.154	3	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:S-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(S)	N[5](BN[5]N[6]Pt)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(S){2|H<1>}	N[5](BN[5]N[6]Pt)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	106.3630	0.000	1	106.3630	0.000	1	106.8807	0.209	3	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:S-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(S)	N[5](BN[5a]N[5]H)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(S){2|H<1>}	N[5](BN[5a]N[5]H)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.1395	0.124	2	107.1395	0.015	2	106.8807	0.209	3	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:S-1:	B[5a]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(S)	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(S){1|C<3>,2|H<1>,2|N<3>}	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	106.4865	0.613	2	106.4865	0.376	2	106.4865	0.376	2	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[3]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[3]C[5])(N[5]C[5]C)(S)	N[5](C[3]C[3]2H)(C[5]C[5]C)(C[5]N[5]S)	N[5](C[5]C[5]C)(C[5]N[5]S)(CC[6a]HH)	C[5](N[5]C[3]C[5])(N[5]C[5]C)(S){1|H<1>,4|C<4>}	N[5](C[3]C[3]2H)(C[5]C[5]C)(C[5]N[5]S){2|C<4>,4|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CC[6a]HH){2|C<4>}	105.5220	0.000	1	105.5220	0.000	1	105.5220	0.000	1	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:S-1:	Si-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]Si)(N[5]C[5]C)(S)	N[5](SiC[6a]N[5]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]Si)(N[5]C[5]C)(S){2|H<1>}	N[5](SiC[6a]N[5]2)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Si<4>,1|H<1>}	106.2560	0.261	3	106.2560	0.068	3	106.3790	0.062	5	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:S-1:	Si-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]Si)(N[5]C[5]C)(S)	N[5](SiC[6a]N[5]H)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]Si)(N[5]C[5]C)(S){2|H<1>}	N[5](SiC[6a]N[5]H)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Si<4>,1|H<1>}	106.5635	0.016	2	106.5635	0.000	2	106.3790	0.062	5	108.5284	2.595	62	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:4:3:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){2|H<1>,6|C<3>}	N[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]N[5]H){2|C<4>,2|H<1>,7|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<4>,5|C<3>}	115.2150	0.140	2	115.2150	0.020	2	114.3157	0.764	7	114.3157	0.764	7	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:4:3:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,3|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|H<1>,2|C<4>,4|C<3>}	112.8850	0.000	1	113.9560	0.575	5	114.3157	0.764	7	114.3157	0.764	7	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	3:4:3:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){2|C<4>,2|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|H<1>,2|C<4>,4|C<3>}	114.2237	0.538	4	113.9560	0.575	5	114.3157	0.764	7	114.3157	0.764	7	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,3x6]-4:C[5]-3:C-3:	C[5,6,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,3x6]C)(N[5]C[5,6,6]H)(O)	N[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]N[5]O)(COO)	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]N[5]O)(H)	C[5](N[5]C[5,3x6]C)(N[5]C[5,6,6]H)(O){1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]N[5]O)(COO){1|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]N[5]O)(H){2|C<3>,2|C<4>,2|H<1>}	106.5070	0.000	1	106.5070	0.000	1	106.5070	0.000	1	107.4118	2.196	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(O)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(H){1|H<1>,2|C<3>}	106.6370	0.000	1	106.6370	0.000	1	106.6370	0.000	1	107.4118	2.196	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:1:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]S)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]S)(H)	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]H)(S){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]S){1|N<3>,3|C<3>,5|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]S)(H){1|C<4>,1|N<3>,3|C<3>}	109.2720	0.000	1	109.2720	0.000	1	108.9940	0.155	2	107.4118	2.196	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:1:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]S)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(H)	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]H)(S){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]S){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(H){1|H<1>,1|N<3>,3|C<3>}	108.7160	0.000	1	108.7160	0.000	1	108.9940	0.155	2	107.4118	2.196	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:1:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]2)(N[5]C[5]H)(S)	N[5](C[5]C[5]HH)(C[5]N[5]2)(C[5]N[5]S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	C[5](N[5]C[5]2)(N[5]C[5]H)(S){2|N<2>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]2)(C[5]N[5]S){2|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|C<3>,2|H<1>}	105.9270	0.000	1	105.9270	0.000	1	105.9270	0.000	1	107.4118	2.196	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:H-1:	C[3x6]-4:C[5]-3:C[5]-3:	C[3x6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[3x6]C[5])2(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]Os)(C[5]N[5]H)	C[5](N[5]C[3x6]C[5])2(H){1|Os<4>,1|H<1>,6|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H){1|Os<4>,4|C<4>,6|H<1>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]Os)(C[5]N[5]H){4|C<4>,7|H<1>}	107.1240	0.000	1	107.1240	0.000	1	108.3900	3.206	2	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:H-1:	C[3x6]-4:C[5]-3:C[5]-3:	C[3x6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[3x6]C[5])2(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]Ru)(C[5]N[5]H)	C[5](N[5]C[3x6]C[5])2(H){1|Ru<4>,1|H<1>,6|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H){1|Ru<4>,4|C<4>,6|H<1>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]Ru)(C[5]N[5]H){4|C<4>,7|H<1>}	109.6560	0.000	1	109.6560	0.000	1	108.3900	3.206	2	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])2(H)	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])2(H){2|H<1>,2|O<2>,4|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|B<4>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|B<4>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	114.1930	0.000	1	114.1930	0.000	1	114.0060	0.031	3	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])2(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])2(H){2|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,6|C<3>}	113.9125	0.098	2	113.9125	0.010	2	114.0060	0.031	3	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:N[5]-3:	C[5](N[5]C[5]N[5])2(H)	N[5](C[5]C[5]HH)(C[5]N[5]H)(N[5]C[5]2)	N[5](C[5]C[5]HH)(C[5]N[5]H)(N[5]C[5]2)	C[5](N[5]C[5]N[5])2(H){4|C<4>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(N[5]C[5]2){1|N<3>,4|C<4>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(N[5]C[5]2){1|N<3>,4|C<4>,4|H<1>}	112.0190	0.000	1	112.0190	0.000	1	112.0190	0.000	1	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,2|H<1>,6|C<3>}	113.5420	0.000	1	114.5157	0.732	3	114.5157	0.732	3	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,6|C<3>}	114.8570	0.000	1	114.5157	0.732	3	114.5157	0.732	3	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,7|C<3>}	115.1480	0.000	1	114.5157	0.732	3	114.5157	0.732	3	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[5]C[6])2(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]C[6])2(H){4|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H){3|C<4>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H){3|C<4>,5|H<1>}	109.1450	0.000	1	109.1450	0.000	1	109.1450	0.000	1	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[3,5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[3,5]C)(N[5]C[5]C)(O)	N[5](C[3,5]C[3]2C[5])(C[5]N[5]O)(COO)	N[5](C[5]C[3,5]HH)(C[5]N[5]O)(COO)	C[5](N[5]C[3,5]C)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	N[5](C[3,5]C[3]2C[5])(C[5]N[5]O)(COO){2|Cl<1>,1|C<3>,4|H<1>}	N[5](C[5]C[3,5]HH)(C[5]N[5]O)(COO){1|C<3>,2|C<4>}	101.5040	0.000	1	101.5040	0.000	1	101.5040	0.000	1	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[3,5]-4:C[5]-3:N-3:	C[3,5]-4:C[5]-3:N-3:	C[5](N[5]C[3,5]N)2(O)	N[5](C[3,5]C[3,5]C[3]C)(C[5]N[5]O)(NOO)	N[5](C[3,5]C[3,5]C[3]C)(C[5]N[5]O)(NOO)	C[5](N[5]C[3,5]N)2(O){3|C<4>}	N[5](C[3,5]C[3,5]C[3]C)(C[5]N[5]O)(NOO){1|C<4>,1|N<3>,2|H<1>}	N[5](C[3,5]C[3,5]C[3]C)(C[5]N[5]O)(NOO){1|C<4>,1|N<3>,2|H<1>}	102.5130	0.000	1	102.5130	0.000	1	102.5130	0.000	1	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[4,5]-4:C[5]-3:N-3:	C[4,5]-4:C[5]-3:N-3:	C[5](N[5]C[4,5]N)2(O)	N[5](C[4,5]C[4,5]C[4]C)(C[5]N[5]O)(NOO)	N[5](C[4,5]C[4,5]C[4]C)(C[5]N[5]O)(NOO)	C[5](N[5]C[4,5]N)2(O){4|C<4>}	N[5](C[4,5]C[4,5]C[4]C)(C[5]N[5]O)(NOO){1|N<3>,2|C<4>,2|H<1>}	N[5](C[4,5]C[4,5]C[4]C)(C[5]N[5]O)(NOO){1|N<3>,2|C<4>,2|H<1>}	102.7930	0.000	1	102.7930	0.000	1	102.7930	0.000	1	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CC[3]O)	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]C)(O){1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CC[3]O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	106.4370	0.000	1	106.4370	0.000	1	106.4370	0.000	1	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]CoH)(C[5]N[5]O)(CCO)	N[5](C[5]C[5]CoH)(C[5]N[5]O)(CCO)	C[5](N[5]C[5]C)2(O){1|Co<8>,2|H<1>}	N[5](C[5]C[5]CoH)(C[5]N[5]O)(CCO){1|C<3>,1|H<1>}	N[5](C[5]C[5]CoH)(C[5]N[5]O)(CCO){1|C<3>,1|H<1>}	105.5260	0.000	1	105.5260	0.000	1	107.0567	1.102	4	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CNO)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CNO)	C[5](N[5]C[5]C)2(O){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CNO){1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CNO){1|C<3>,2|H<1>}	107.5670	0.301	3	107.5670	0.090	3	107.0567	1.102	4	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[5]C[6])2(O)	N[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O)	C[5](N[5]C[5]C[6])2(O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	N[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,3|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O){1|C<3>,3|C<4>,4|H<1>}	107.2935	0.781	2	107.2935	0.611	2	107.3780	0.335	4	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[5]C[6])2(O)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O)	C[5](N[5]C[5]C[6])2(O){2|H<1>,2|O<1>,4|C<4>}	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O){1|O<1>,3|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O){1|O<1>,3|C<4>,4|H<1>}	107.4625	0.605	2	107.4625	0.366	2	107.3780	0.335	4	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]O)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]O)	C[5](N[5]C[5]C)2(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]O){1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]O){1|C<3>,2|H<1>}	106.4770	0.000	1	106.4770	0.000	1	106.4770	0.000	1	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:S-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[5]C[6])2(S)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]S)	C[5](N[5]C[5]C[6])2(S){4|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]S){3|C<4>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]S){3|C<4>,5|H<1>}	105.6000	0.000	1	105.6000	0.000	1	105.6000	0.000	1	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:Se-1:	C[3x6]-4:C[5]-3:C[5]-3:	C[3x6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[3x6]C[5])2(Se)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[3x6]C[5])2(Se){2|H<1>,6|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H){4|C<4>,7|H<1>}	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H){4|C<4>,7|H<1>}	106.0580	0.000	1	106.0580	0.000	1	106.0580	0.000	1	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:Se-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])2(Se)	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]Se)	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]Se)	C[5](N[5]C[5,5]C[6a])2(Se){2|H<1>,2|O<2>,4|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]Se){1|B<3>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]Se){1|B<3>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	108.4780	0.000	1	108.4780	0.000	1	108.4780	0.000	1	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:Se-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[5]C[6])2(Se)	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[5]C[6])2(Se){4|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H){3|C<4>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H){3|C<4>,5|H<1>}	105.8080	0.000	1	105.8080	0.000	1	105.8080	0.000	1	108.4043	14.686	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[4]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[4]C[5])(N[5]C[5]C)(O)	N[5](C[4]C[4]2C)(C[5]C[5]O)(C[5]N[5]O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCHH)	C[5](N[5]C[4]C[5])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5](C[4]C[4]2C)(C[5]C[5]O)(C[5]N[5]O){3|C<4>,5|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCHH){1|C<4>,1|O<1>}	107.6160	0.000	1	107.6160	0.000	1	107.6160	0.000	1	107.1719	0.713	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>}	106.9195	0.026	2	106.9195	0.001	2	106.9195	0.001	2	107.1719	0.713	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:S-4:	C[5](N[5]C[5]C)(N[5]C[5]S)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[3]O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(SCOO)	C[5](N[5]C[5]C)(N[5]C[5]S)(O){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[3]O){1|S<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(SCOO){1|C<3>,2|H<1>}	105.4920	0.000	1	105.4920	0.000	1	105.4920	0.000	1	107.1719	0.713	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(O){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>}	107.6210	0.000	1	107.6210	0.000	1	107.6210	0.000	1	107.1719	0.713	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:S-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]S)(O)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)	C[5](N[5]C[6a]C[5])(N[5]C[5]S)(O){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO){1|H<1>,2|C<3>}	106.7060	0.274	2	106.7060	0.075	2	106.7060	0.075	2	107.1719	0.713	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:4:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(S)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(CCO)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(CH3)	C[5](N[5]C[5,5]C)2(S){2|C<4>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(CCO){1|N<3>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(CH3){1|N<3>,2|C<3>,2|C<4>}	108.1405	0.777	2	108.1405	0.604	2	108.1405	0.604	2	107.1719	0.713	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:4:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C[6a])(N[5]N[5,5]C)(S)	N[5](C[5,5]C[5,6a]N[5,5]C)(C[6a]C[6a]2)(C[5]N[5]S)	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5,5]C[6a])(N[5]N[5,5]C)(S){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]N[5,5]C)(C[6a]C[6a]2)(C[5]N[5]S){1|B<4>,1|C<4>,3|H<1>,4|C<3>}	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH){1|C<4>,2|O<2>,3|C<3>}	107.4580	0.000	1	107.4580	0.000	1	107.4580	0.000	1	107.1719	0.713	10	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	107.5037	0.249	3	107.5037	0.062	3	107.5594	0.098	9	107.4935	0.331	15	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]CH)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]CH){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	107.6220	0.099	2	107.6220	0.010	2	107.5594	0.098	9	107.4935	0.331	15	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]HH)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]HH){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	107.5700	0.459	4	107.5700	0.210	4	107.5594	0.098	9	107.4935	0.331	15	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]C[5]S)(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(SC[6a]OO)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5]H)(N[5]C[5]S)(O){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(SC[6a]OO){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|S<4>}	106.9382	0.569	4	106.9382	0.324	4	106.9382	0.324	4	107.4935	0.331	15	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]CC)(C[5]N[5]S)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|O<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]S)(CH3){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){3|C<4>}	108.3075	0.525	2	108.3075	0.276	2	108.3075	0.276	2	107.4935	0.331	15	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:3:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5]3)(C[5]N[5]O)(CC[6]HH)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(N[5]C[5,5]C)(O){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5]3)(C[5]N[5]O)(CC[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	107.0425	1.993	4	107.0425	3.971	4	107.0425	3.971	4	107.0634	2.980	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:3:	N[5]-3:N[5]-3:S-1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5,6]C)(S)	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)(CC[6a]HH)	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(N[5]C[5,6]C)(S){2|C<4>,3|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)(CC[6a]HH){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,2|H<1>,3|C<4>}	107.1470	0.000	1	107.1470	0.000	1	107.1470	0.000	1	107.0634	2.980	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	B[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]B[5]C)(N[5]C[5]C)(H)	N[5](B[5]C[6a]2C[5])(C[5]N[5]H)(CCCH)	N[5](C[5]B[5]O)(C[5]N[5]H)(CCCH)	C[5](N[5]B[5]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>}	N[5](B[5]C[6a]2C[5])(C[5]N[5]H)(CCCH){1|C<4>,1|O<1>,4|C<3>}	N[5](C[5]B[5]O)(C[5]N[5]H)(CCCH){1|C<4>,2|C<3>}	116.0150	0.000	1	116.0150	0.000	1	116.0150	0.000	1	108.3418	3.906	19	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O)	N[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]O)(CH3)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CH3)	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	107.9890	0.000	1	107.6920	0.176	2	107.6920	0.176	2	108.3418	3.906	19	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O)	N[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]O)(CH3)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CH3)	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,2|N<3>,2|O<1>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	107.3950	0.000	1	107.6920	0.176	2	107.6920	0.176	2	108.3418	3.906	19	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](N[5]C[5]C)2(O){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	107.7440	0.000	1	107.7440	0.000	1	107.8173	0.283	12	108.3418	3.906	19	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5]CC)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,2|C<4>}	107.4600	0.000	1	107.4600	0.000	1	107.8173	0.283	12	108.3418	3.906	19	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C[5](N[5]C[5]C)2(O){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<4>,2|H<1>}	107.0510	0.000	1	107.0510	0.000	1	107.8173	0.283	12	108.3418	3.906	19	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(CCHH)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C[5](N[5]C[5]C)2(O){1|O<1>,2|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(CCHH){1|C<4>,1|O<1>,4|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<4>,2|C<3>}	107.0180	0.000	1	107.0180	0.000	1	107.8173	0.283	12	108.3418	3.906	19	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,1|N<2>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	108.2525	0.510	4	108.2525	0.260	4	107.8173	0.283	12	108.3418	3.906	19	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,2|C<4>}	107.8800	0.318	3	107.8800	0.101	3	107.8173	0.283	12	108.3418	3.906	19	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3)	C[5](N[5]C[5]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	107.8850	0.000	1	107.8850	0.000	1	107.8173	0.283	12	108.3418	3.906	19	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:Si-4:	C[5]-3:C[5]-3:Si-4:	C[5](N[5]C[5]Si)2(O)	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(SiC3)	N[5](C[5]C[5]O)(C[5]N[5]O)(SiC3)	C[5](N[5]C[5]Si)2(O){1|O<1>,2|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(SiC3){1|Si<4>,1|O<1>,4|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(SiC3){1|Si<4>,2|C<3>}	110.0180	0.000	1	110.0180	0.000	1	110.0180	0.000	1	108.3418	3.906	19	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,5]C)(N[5]C[5]C)(S)	N[5](C[5,5]C[5]N[5]2)(C[5]N[5]S)(CCCH)	N[5](C[5]C[5,5]S)(C[5]N[5]S)(CCCH)	C[5](N[5]C[5,5]C)(N[5]C[5]C)(S){1|S<1>,2|N<3>}	N[5](C[5,5]C[5]N[5]2)(C[5]N[5]S)(CCCH){1|N<2>,1|S<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,5]S)(C[5]N[5]S)(CCCH){1|C<4>,2|N<3>}	107.6260	0.000	1	107.6260	0.000	1	107.6260	0.000	1	108.3418	3.906	19	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]CO)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]C)2(S){1|C<4>,1|O<1>,1|O<2>}	N[5](C[5]C[5]CO)(C[5]N[5]S)(CCHH){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|O<2>,2|C<4>}	107.8220	0.363	2	107.8220	0.132	2	107.8220	0.132	2	108.3418	3.906	19	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,5,6]C)(N[5]C[5,5,6]H)(O)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(H)	C[5](N[5]C[5,5,6]C)(N[5]C[5,5,6]H)(O){2|C<4>,2|N<3>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	108.0800	0.653	2	108.0800	0.427	2	108.0800	0.427	2	108.4248	0.688	37	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CCHH)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	108.9528	0.443	12	108.9528	0.196	12	108.4427	0.751	33	108.4248	0.688	37	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	107.3930	0.000	1	107.3930	0.000	1	108.4427	0.751	33	108.4248	0.688	37	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	109.0904	0.601	5	109.0904	0.361	5	108.4427	0.751	33	108.4248	0.688	37	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(H)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.7884	0.808	13	107.7884	0.653	13	108.4427	0.751	33	108.4248	0.688	37	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.1240	0.000	1	109.1240	0.000	1	108.4427	0.751	33	108.4248	0.688	37	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	107.9580	0.000	1	107.9580	0.000	1	108.4427	0.751	33	108.4248	0.688	37	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	108.4248	0.688	37	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	N[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S)(H)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(S){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|O<2>,3|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S)(H){1|H<1>,3|C<4>}	108.6520	0.000	1	108.6520	0.000	1	108.6520	0.000	1	108.4248	0.688	37	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]H)	C[5](N[5]C[5,5]C)2(O){2|C<4>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|N<3>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]H){1|C<3>,1|N<3>,3|C<4>}	109.0045	1.159	2	109.0045	1.343	2	108.3952	0.768	6	107.5677	1.407	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]H)	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	108.0905	0.679	4	108.0905	0.462	4	108.3952	0.768	6	107.5677	1.407	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCO)	C[5](N[5]C[5]C)2(O){1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCO){1|C<4>,2|H<1>}	107.5180	0.000	1	107.5180	0.000	1	106.9640	0.614	2	107.5677	1.407	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5]C[5]HH)(C[5]N[5]O)(COO)	C[5](N[5]C[5]C)2(O){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(COO){1|C<4>,2|H<1>}	106.4100	0.000	1	106.4100	0.000	1	106.9640	0.614	2	107.5677	1.407	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5]C)(N[5]C[5]S)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(SCOO)	N[5](C[5]C[5]HH)(C[5]N[5]O)(COS)	C[5](N[5]C[5]C)(N[5]C[5]S)(O){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(SCOO){1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(COS){1|S<4>,2|H<1>}	106.3153	0.195	3	106.3153	0.038	3	106.3153	0.038	3	107.5677	1.407	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:Cl-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(Cl)	N[5](C[5,5]C[5,5]C[5]Ru)(C[5]N[5]Cl)(CH3)	N[5](C[5,5]C[5,5]C[5]Ru)(C[5]N[5]Cl)(CH3)	C[5](N[5]C[5,5]C)2(Cl){1|Ru<10>,2|C<4>}	N[5](C[5,5]C[5,5]C[5]Ru)(C[5]N[5]Cl)(CH3){4|C<4>}	N[5](C[5,5]C[5,5]C[5]Ru)(C[5]N[5]Cl)(CH3){4|C<4>}	113.3320	0.000	3	113.3320	0.000	3	113.3320	0.000	3	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:Cl-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(Cl)	N[5](C[5]C[5]HH)(C[5]N[5]Cl)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]Cl)(CH3)	C[5](N[5]C[5]C)2(Cl){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]Cl)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]Cl)(CH3){1|C<4>,2|H<1>}	115.1900	0.000	1	115.1900	0.000	1	115.1900	0.000	1	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,5,6]C)2(H)	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]H)(CH3)	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5,5,6]C)2(H){2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	113.8200	0.000	1	113.8200	0.000	1	113.8200	0.000	1	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6,6]C)2(H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]H)(CH3)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5,6,6]C)2(H){2|C<4>,2|H<1>}	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	113.6285	0.392	2	113.6285	0.154	2	113.6285	0.154	2	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(CC[6a]HH)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5,6]C)2(H){2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(CC[6a]HH){3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(CC[6a]HH){3|C<4>,3|H<1>}	113.4610	0.000	1	113.4610	0.000	1	113.4610	0.000	1	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC3)	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]C)2(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC3){1|C<4>,2|H<1>}	114.2900	0.896	3	114.2900	0.803	3	114.0699	0.459	11	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]HH)	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[5]HH)	C[5](N[5]C[5]C)2(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]HH){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[5]HH){1|C<4>,2|H<1>}	114.0015	0.607	2	114.0015	0.369	2	114.0699	0.459	11	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]HH)	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]C)2(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]HH){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]HH){1|C<4>,2|H<1>}	114.1520	0.786	4	114.1520	0.618	4	114.0699	0.459	11	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]H)(CHHP)	N[5](C[5]C[5]HH)(C[5]N[5]H)(CHHP)	C[5](N[5]C[5]C)2(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(CHHP){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(CHHP){1|C<4>,2|H<1>}	113.3160	0.000	1	113.3160	0.000	1	114.0699	0.459	11	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CC[6a]HH)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]C)2(H){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	113.9720	0.000	1	113.9720	0.000	1	114.0699	0.459	11	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[3x5]-4:C[5]-3:C-4:	C[3x5]-4:C[5]-3:C-4:	C[5](N[5]C[3x5]C)2(O)	N[5](C[3x5]C[3x5]C[5]N[5])(C[5]N[5]O)(CN[5]HH)	N[5](C[3x5]C[3x5]C[5]N[5])(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[3x5]C)2(O){2|C<4>,2|N<3>}	N[5](C[3x5]C[3x5]C[5]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5](C[3x5]C[3x5]C[5]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	108.8138	0.730	24	108.8138	0.533	24	108.8138	0.533	24	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,5,6]C)2(O)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5,6]C)2(O){2|C<4>,2|N<3>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	108.6330	0.688	69	108.6330	0.473	69	108.6330	0.473	69	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(O){2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH){1|S<2>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH){1|S<2>,2|H<1>,3|C<4>}	108.3158	0.715	6	108.3158	0.512	6	108.3456	0.807	698	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)	C[5](N[5]C[5,5]C)2(O){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<4>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<4>,4|C<3>}	108.2710	0.332	6	108.2710	0.110	6	108.3456	0.807	698	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(O){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<4>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CN[5]HH){1|N<3>,2|C<4>,4|C<3>}	108.2380	0.154	2	108.2380	0.024	2	108.3456	0.807	698	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)	C[5](N[5]C[5,5]C)2(O){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3){1|N<3>,2|C<4>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3){1|N<3>,2|C<4>,4|C<3>}	108.9410	0.113	2	108.9410	0.013	2	108.3456	0.807	698	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5](N[5]C[5,5]C)2(O){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	107.8516	0.616	5	107.8516	0.380	5	108.3456	0.807	698	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(O){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|N<3>,2|C<3>,2|C<4>}	107.9840	0.400	6	107.9840	0.160	6	108.3456	0.807	698	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(O){2|C<4>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	108.9716	0.584	97	108.9666	0.347	99	108.3456	0.807	698	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(O){2|C<4>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|N<3>,2|C<3>,2|C<4>}	108.7275	1.073	2	108.9666	0.347	99	108.3456	0.807	698	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CCHH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	109.2355	0.681	2	109.2355	0.464	2	108.3456	0.807	698	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[5a]HH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[5a]HH)	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[5a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[5a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	109.3900	0.000	1	109.3900	0.000	1	108.3456	0.807	698	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	108.9622	0.600	6	108.9622	0.360	6	108.3456	0.807	698	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	108.2294	0.916	552	108.2324	0.840	557	108.3456	0.807	698	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.2447	0.731	4	108.2324	0.840	557	108.3456	0.807	698	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|H<1>,1|N<3>,3|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|H<1>,1|N<3>,3|C<4>}	109.8780	0.000	1	108.2324	0.840	557	108.3456	0.807	698	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[6]HH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[6]HH)	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[6]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[6]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	108.1110	0.256	4	108.1110	0.065	4	108.3456	0.807	698	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]O)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]O)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(O){2|N<3>,2|O<2>}	N[5](C[5,5]C[5,5]N[5]O)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]O)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	108.4695	0.056	2	108.4695	0.003	2	108.3456	0.807	698	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)(N[5]C[5]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3)	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3)	C[5](N[5]C[5,5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3){1|C<3>,2|C<4>}	108.9995	0.022	2	108.9995	0.000	2	108.9995	0.000	2	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(CH3)	C[5](N[5]C[5,6]C)2(O){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.2335	0.477	2	108.2335	0.228	2	108.5464	0.289	14	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,6]C)2(O){2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH){3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH){3|C<4>,3|H<1>}	108.3226	0.393	7	108.3226	0.155	7	108.5464	0.289	14	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3)	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3)	C[5](N[5]C[5,6]C)2(O){1|N<2>,1|N<3>,2|C<3>}	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,4|C<3>}	108.8735	0.752	2	108.8735	0.565	2	108.5464	0.289	14	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CH3)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3)	C[5](N[5]C[5,6]C)2(O){2|H<1>,2|N<3>}	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	108.4900	0.000	1	108.4900	0.000	1	108.5464	0.289	14	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	C[5](N[5]C[5,6]C)2(O){1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	109.3440	0.064	2	109.3440	0.004	2	108.5464	0.289	14	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O)	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]O)(CH3)	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5]O)(CH3)	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O){1|C<4>,3|C<3>}	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]O)(CH3){1|H<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5]O)(CH3){1|C<4>,4|C<3>}	107.7630	0.000	1	107.7630	0.000	1	107.7630	0.000	1	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3)	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.7260	0.000	1	108.7260	0.000	1	108.2039	1.298	11	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|H<1>,2|C<4>}	108.3370	0.953	4	108.3370	0.908	4	108.2039	1.298	11	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)	C[5](N[5]C[5]C)2(O){2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	108.4890	0.000	1	108.4890	0.000	1	108.2039	1.298	11	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	C[5](N[5]C[5]C)2(O){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	108.4240	0.000	1	108.4240	0.000	1	108.2039	1.298	11	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	C[5](N[5]C[5]C)2(O){1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|C<4>,2|H<1>}	108.6890	0.499	2	108.6890	0.249	2	108.2039	1.298	11	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	C[5](N[5]C[5]C)2(O){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	106.9390	2.423	2	106.9390	5.869	2	108.2039	1.298	11	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(S)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH)	C[5](N[5]C[5,5]C)2(S){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH){1|N<3>,2|C<4>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH){1|N<3>,2|C<4>,4|C<3>}	108.0180	0.000	1	108.0180	0.000	1	108.0180	0.000	1	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6]CH)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6]CH)	C[5](N[5]C[5]C)2(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6]CH){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6]CH){1|C<4>,2|H<1>}	108.2550	0.000	1	108.2550	0.000	1	108.5900	0.422	5	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]CH)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]CH)	C[5](N[5]C[5]C)2(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]CH){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]CH){1|C<4>,2|H<1>}	107.8890	0.000	1	107.8890	0.000	1	108.5900	0.422	5	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH)	C[5](N[5]C[5]C)2(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	108.9353	0.603	3	108.9353	0.363	3	108.5900	0.422	5	108.5113	1.440	844	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:4:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	B[6,6]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]B[6,6]C[5])(N[5]C[5]C)(H)	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]HH)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]B[6,6]C[5])(N[5]C[5]C)(H){1|N<3>,2|C<4>,3|H<1>}	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]HH)(C[5]N[5]H){3|C<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<4>,2|H<1>}	110.3190	0.000	1	110.3190	0.000	1	110.3190	0.000	1	107.7663	4.970	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:4:3:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]2)(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](N[5]C[5]2)(N[5]C[5]C)(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	N[5](C[5]C[5,6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	106.4900	0.407	2	106.4900	0.166	2	106.4900	0.166	2	107.7663	4.970	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:4:3:	3:4:3:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(N[5]C[5]2)(H){1|C<4>,3|C<3>,5|H<1>}	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<3>,2|H<1>,3|C<4>}	114.0155	1.046	2	114.0155	1.094	2	114.0155	1.094	2	114.0155	1.094	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:4:3:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]N[5]O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]N[5]O){1|H<1>,3|C<4>,4|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	108.2500	0.000	1	108.2500	0.000	1	108.2500	0.000	1	108.2815	0.002	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:4:3:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[6]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C[6])(N[5]C[5]C)(O)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(O){2|C<3>,2|C<4>,3|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	108.3130	0.000	1	108.3130	0.000	1	108.3130	0.000	1	108.2815	0.002	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:4:3:	4:4:3:	N[5]-3:N[5]-3:H-1:	C[3x6]-4:C[5]-4:C[5]-3:	C[3x6]-4:C[5]-4:C[5]-3:	C[5](N[5]C[3x6]C[5])2(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]Ru2)(C[5]N[5]H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]Ru2)(C[5]N[5]H)	C[5](N[5]C[3x6]C[5])2(H){3|Ru<5>,6|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]Ru2)(C[5]N[5]H){1|Ru<5>,4|C<4>,6|H<1>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]Ru2)(C[5]N[5]H){1|Ru<5>,4|C<4>,6|H<1>}	112.3620	0.000	1	112.3620	0.000	1	112.3620	0.000	1	110.2440	8.972	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	4:4:3:	4:4:3:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-4:C[5]-3:	C[5](N[5]C[5,6]C[5])2(O)	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](N[5]C[5,6]C[5])2(O){4|C<4>,6|H<1>}	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[5]N[5]O){2|H<1>,7|C<4>}	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[5]N[5]O){2|H<1>,7|C<4>}	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	110.2440	8.972	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	5:3:3:	3:3:1:	N[5]-3:N[5]-3:H-1:	B[3,3,5,4x6]-5:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[3,3,5,4x6]C[5])(N[5]C[5]H)(H)	N[5](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]B[3,3,5,4x6]C[5])(N[5]C[5]H)(H){3|B<6>,3|H<1>}	N[5](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[5]C[5]H)(C[5]N[5]H){2|H<2>,4|B<6>,5|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|B<5>,1|H<1>}	110.0070	0.092	2	110.0070	0.008	2	110.0070	0.008	2	110.0070	0.008	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	5:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	B[3,3,5,4x6]-5:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]B[3,3,5,4x6]C[5])(N[5]C[5]C)(H)	N[5](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]B[3,3,5,4x6]C[5])(N[5]C[5]C)(H){3|B<6>,3|H<1>}	N[5](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|H<2>,4|B<6>,4|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<5>,1|H<1>}	109.8110	0.509	2	109.8110	0.259	2	109.8110	0.259	2	109.8110	0.259	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	6:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	Si-6:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]Si)(N[5]C[5]C)(H)	N[5](SiN[5]3Cl2)(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Si)(N[5]C[5]C)(H){2|H<1>}	N[5](SiN[5]3Cl2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Si<6>,1|H<1>}	110.2147	0.367	4	110.2147	0.135	4	110.2147	0.135	4	110.3378	0.177	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:1:	6:3:3:	3:3:4:	N[5]-3:N[5]-3:H-1:	Si[5,6]-6:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]Si[5,6]C[5])(N[5]C[5]C)(H)	N[5](Si[5,6]N[5,6]C[6a]N[5a]O[5]O[6])(C[5]C[5]H)(C[5]N[5]H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]Si[5,6]C[5])(N[5]C[5]C)(H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	N[5](Si[5,6]N[5,6]C[6a]N[5a]O[5]O[6])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,8|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Si<6>,1|H<1>}	110.8300	0.000	1	110.8300	0.000	1	110.8300	0.000	1	110.3378	0.177	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:2:1:	3:2:1:	N[5]-3:N[5]-3:N-2:	C[5]-3:N[5]-2:H-1:	C[5]-3:N[5]-2:H-1:	C[5](N[5]N[5]H)2(NN)	N[5](C[5]N[5]N)(N[5]N[5])(H)	N[5](C[5]N[5]N)(N[5]N[5])(H)	C[5](N[5]N[5]H)2(NN)	N[5](C[5]N[5]N)(N[5]N[5])(H){1|H<1>}	N[5](C[5]N[5]N)(N[5]N[5])(H){1|H<1>}	103.5900	0.000	1	103.5900	0.000	1	103.5900	0.000	1	103.5900	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:2:1:	3:3:1:	N[5]-3:N[5]-3:N-2:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(NH)	N[5](C[5]N[5]N)(N[5]C[5])(H)	N[5](C[5]N[5]C)(C[5]N[5]N)(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(NH){1|C<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	N[5](C[5]N[5]C)(C[5]N[5]N)(H){1|H<1>}	106.8640	0.000	1	106.8640	0.000	1	106.3270	0.236	3	106.3270	0.236	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:2:1:	3:3:1:	N[5]-3:N[5]-3:N-2:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(NN)	N[5](C[5]N[5]N)(N[5]C[5])(H)	N[5](C[5]N[5]C)(C[5]N[5]N)(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(NN){1|C<4>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<4>,1|H<1>}	N[5](C[5]N[5]C)(C[5]N[5]N)(H){1|H<1>}	106.0585	0.197	2	106.0585	0.039	2	106.3270	0.236	3	106.3270	0.236	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:2:1:	3:3:2:	N[5]-3:N[5]-3:N-2:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[5]N)(N[5]N[5]H)(NH)	N[5](C[5]N[5]N)(N[5]C[5])(H)	N[5](C[5]N[5]H)(C[5]N[5]N)(NN)	C[5](N[5]C[5]N)(N[5]N[5]H)(NH){1|H<1>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|H<1>,1|N<2>}	N[5](C[5]N[5]H)(C[5]N[5]N)(NN){1|H<1>}	104.1840	0.000	1	104.1840	0.000	1	104.1840	0.000	1	104.1840	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:2:1:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]N[5]H)(SBi)	N[5](C[5]N[5]S)(N[5]C[5])(H)	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)(N[5]N[5]H)(SBi){1|H<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|H<1>}	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3){1|H<1>}	104.7935	0.211	2	104.7935	0.045	2	104.7935	0.045	2	104.4010	0.485	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:2:1:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:N-4:	C[5](N[5]C[5]N)(N[5]N[5]H)(SNi)	N[5](C[5]N[5]S)(N[5]C[5])(H)	N[5](C[5]N[5]C)(C[5]N[5]S)(NNiHH)	C[5](N[5]C[5]N)(N[5]N[5]H)(SNi){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<4>}	N[5](C[5]N[5]C)(C[5]N[5]S)(NNiHH){1|H<1>}	103.6160	0.000	1	103.6160	0.000	1	103.6160	0.000	1	104.4010	0.485	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:2:2:	3:2:1:	N[5]-3:N[5]-3:N-2:	C[5]-3:N[5]-2:O-2:	C[5]-3:N[5]-2:H-1:	C[5](N[5]N[5]H)(N[5]N[5]O)(NN)	N[5](C[5]N[5]N)(N[5]N[5])(OC)	N[5](C[5]N[5]N)(N[5]N[5])(H)	C[5](N[5]N[5]H)(N[5]N[5]O)(NN)	N[5](C[5]N[5]N)(N[5]N[5])(OC){1|H<1>}	N[5](C[5]N[5]N)(N[5]N[5])(H){1|O<2>}	101.6660	0.000	1	101.6660	0.000	1	101.6660	0.000	1	101.6660	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:2:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]N[5]C)(SPd)	N[5](C[5]N[5]S)(N[5]C[5])(CPdN)	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)(N[5]N[5]C)(SPd){1|H<1>}	N[5](C[5]N[5]S)(N[5]C[5])(CPdN){1|C<4>,1|H<1>}	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3){1|C<3>}	105.5680	0.000	1	105.5680	0.000	1	105.5680	0.000	1	105.5680	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:2:4:	3:2:1:	N[5]-3:N[5]-3:N-2:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:H-1:	C[5](N[5]N[5]C)(N[5]N[5]H)(NN)	N[5](C[5]N[5]N)(N[5]N[5])(CCHH)	N[5](C[5]N[5]N)(N[5]N[5])(H)	C[5](N[5]N[5]C)(N[5]N[5]H)(NN)	N[5](C[5]N[5]N)(N[5]N[5])(CCHH){1|H<1>}	N[5](C[5]N[5]N)(N[5]N[5])(H){1|C<4>}	103.8300	0.311	3	103.8300	0.097	3	103.8300	0.097	3	103.8300	0.097	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:2:4:	3:2:3:	N[5]-3:N[5]-3:N-2:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:N-3:	C[5](N[5]N[5]C)(N[5]N[5]N)(NH)	N[5](C[5]N[5]N)(N[5]N[5])(CH3)	N[5](C[5]N[5]N)(N[5]N[5])(NHH)	C[5](N[5]N[5]C)(N[5]N[5]N)(NH)	N[5](C[5]N[5]N)(N[5]N[5])(CH3){1|N<3>}	N[5](C[5]N[5]N)(N[5]N[5])(NHH){1|C<4>}	103.9300	0.000	1	103.9300	0.000	1	103.9300	0.000	1	103.9300	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:2:4:	3:3:1:	N[5]-3:N[5]-3:N-2:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]C)(NN)	N[5](C[5]N[5]N)(N[5]C[5])(CCHH)	N[5](C[5]N[5]N)2(H)	C[5](N[5]C[5]H)(N[5]N[5]C)(NN){1|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(CCHH){1|H<1>,1|N<2>}	N[5](C[5]N[5]N)2(H){1|C<4>}	105.0290	0.000	1	105.0290	0.000	1	105.0290	0.000	1	105.0290	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:2:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:N[5]-2:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]N[5]B)(SRh)	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]2H)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]C)(N[5]N[5]B)(SRh){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]2H){2|C<4>}	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|B<4>}	106.3605	0.547	11	106.3605	0.299	11	106.4124	0.240	16	106.4124	0.240	16	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:2:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:N[5]-2:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]N[5]B)(SRh)	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]HH)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]C)(N[5]N[5]B)(SRh){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]HH){2|C<4>}	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|B<4>}	106.2160	0.409	2	106.2160	0.167	2	106.4124	0.240	16	106.4124	0.240	16	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:2:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:N[5]-2:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]N[5]B)(SSn)	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]2H)	N[5](C[5]N[5]C)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)(N[5]N[5]B)(SSn){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]2H){2|C<4>}	N[5](C[5]N[5]C)(C[5]N[5]S)(CH3){1|B<4>}	106.7340	0.120	3	106.7340	0.014	3	106.4124	0.240	16	106.4124	0.240	16	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:2:1:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(NN)	N[5](C[5]C[5]N[5])(C[5]N[5]N)(H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(NN){1|C<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]N)(H){1|C<3>,1|H<1>,1|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	105.6510	0.000	1	105.6517	0.027	4	105.7090	0.215	8	105.5740	0.352	9	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:2:1:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(NN)	N[5](C[5]C[5]N[5])(C[5]N[5]N)(H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(NN){1|C<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]N)(H){1|H<1>,1|N<2>,1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	105.6520	0.203	3	105.6517	0.027	4	105.7090	0.215	8	105.5740	0.352	9	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:2:1:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(NN)	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(NN){1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(H){1|C<3>,1|H<1>,1|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	105.2435	0.465	2	105.7662	0.466	4	105.7090	0.215	8	105.5740	0.352	9	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:2:1:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(NN)	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(NN){1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(H){1|C<3>,1|H<1>,1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	106.0780	0.000	1	105.7662	0.466	4	105.7090	0.215	8	105.5740	0.352	9	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:2:1:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(NN)	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(NN){1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(H){1|H<1>,1|N<2>,1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	106.5000	0.000	1	105.7662	0.466	4	105.7090	0.215	8	105.5740	0.352	9	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:2:1:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(SCu)	N[5](C[5]N[5]H)(C[5]N[5]S)(H)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(SCu){1|H<1>}	N[5](C[5]N[5]H)(C[5]N[5]S)(H){1|H<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|H<1>}	104.4940	0.000	1	104.4940	0.000	1	104.4940	0.000	1	105.5740	0.352	9	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:N-2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(NC[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5](N[5]C[5,6a]H)2(NC[5]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	110.3700	0.000	1	110.3700	0.000	1	110.3700	0.000	1	108.2326	2.503	15	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(NN)	N[5](C[5]C[5]H)(C[5]N[5]N)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](N[5]C[5]H)2(NN){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(H){2|H<1>}	108.5337	1.275	6	108.5337	1.625	6	108.5337	1.625	6	108.2326	2.503	15	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:S-2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(SC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5](N[5]C[5,6a]H)2(SC){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	108.9260	0.493	5	108.9260	0.243	5	108.0531	2.393	7	108.2326	2.503	15	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:S-2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(SCu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5](N[5]C[5,6a]H)2(SCu){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	105.8710	0.229	2	105.8710	0.052	2	108.0531	2.393	7	108.2326	2.503	15	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(SSn)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	C[5](N[5]C[5]H)2(SSn){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){2|H<1>}	105.5450	0.000	1	105.5450	0.000	1	105.5450	0.000	1	108.2326	2.503	15	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:C-2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CC){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	110.9860	0.000	1	110.9860	0.000	1	110.9860	0.000	1	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NC){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){2|C<3>,2|H<1>}	107.8540	0.000	1	107.8540	0.000	1	107.8545	0.000	2	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NS){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH){2|C<3>,2|H<1>}	107.8550	0.000	1	107.8550	0.000	1	107.8545	0.000	2	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:B-4:	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]H)(SBi)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]HH)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]H)(SBi){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|B<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]HH){2|C<3>,2|H<1>}	109.0245	0.971	2	109.0245	0.943	2	109.0245	0.943	2	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(SC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(SC){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){2|C<3>,2|H<1>}	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(SAg)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(SAg){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	106.3745	0.169	2	106.3745	0.029	2	106.9540	1.879	52	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(SC)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(SC){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	108.9004	2.322	8	108.9004	5.393	8	106.9540	1.879	52	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(SC[6a])	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(SC[6a]){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	108.4600	1.041	2	108.4600	1.083	2	106.9540	1.879	52	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(SCo)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(SCo){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	106.0630	0.466	3	106.0630	0.217	3	106.9540	1.879	52	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(SCu)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(SCu){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	106.4980	1.611	2	106.4980	2.595	2	106.9540	1.879	52	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(SHg)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]C)(N[5]C[5]H)(SHg){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){2|H<1>}	106.5901	0.368	8	106.5901	0.135	8	106.9540	1.879	52	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(SHg)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(SHg){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	106.0665	0.521	2	106.0665	0.272	2	106.9540	1.879	52	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(SNi)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]C)(N[5]C[5]H)(SNi){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){2|H<1>}	106.6700	0.000	1	106.6700	0.000	1	106.9540	1.879	52	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(SPd)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]C)(N[5]C[5]H)(SPd){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){2|H<1>}	106.6000	0.307	2	106.6000	0.094	2	106.9540	1.879	52	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(SPt)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(SPt){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	106.6615	0.237	10	106.6615	0.056	10	106.9540	1.879	52	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(SRu)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(SRu){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	106.4834	0.251	5	106.4834	0.063	5	106.9540	1.879	52	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(SS)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(SS){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	107.6915	1.889	2	107.6915	3.567	2	106.9540	1.879	52	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(SZn)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(SZn){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	106.1495	0.185	4	106.1495	0.034	4	106.9540	1.879	52	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(SZr)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]C)(N[5]C[5]H)(SZr){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){2|H<1>}	105.8140	0.000	1	105.8140	0.000	1	106.9540	1.879	52	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(SeHg)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(SeHg){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){2|C<3>,2|H<1>}	108.0318	0.832	10	108.0318	0.692	10	108.0318	0.692	10	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(SeSe)	N[5](C[5]N[5]Se)(C[5]C[5]H)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(SeSe){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){2|H<1>}	107.9692	1.041	6	107.9692	1.083	6	107.9692	1.083	6	107.3500	2.016	74	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:2:	3:2:1:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[6a]N[5])(N[5]N[5]H)(SCu)	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	N[5](C[5]N[5]S)(N[5]N[5])(H)	C[5](N[5]C[6a]N[5])(N[5]N[5]H)(SCu){2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){2|C<3>,3|H<1>}	N[5](C[5]N[5]S)(N[5]N[5])(H){1|C<3>}	102.0040	0.000	1	102.0040	0.000	1	102.0040	0.000	1	102.0040	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:O-2:	C[5](N[5]C[5]O)2(SC)	N[5](C[5]C[5]H)(C[5]N[5]S)(OC)	N[5](C[5]C[5]H)(C[5]N[5]S)(OC)	C[5](N[5]C[5]O)2(SC){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(OC){1|H<1>,1|O<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(OC){1|H<1>,1|O<2>}	103.7260	0.000	1	103.7260	0.000	1	103.7260	0.000	1	103.7260	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:2:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeI)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a])	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(SeI){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<2>,1|H<1>}	107.0895	0.139	2	107.0895	0.019	2	107.0895	0.019	2	107.0895	0.019	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(SPd)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(SPd){3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){3|H<1>,4|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<3>}	105.4030	0.000	1	105.4030	0.000	1	105.4030	0.000	1	105.4030	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:2:4:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:B-4:	C[5](N[5]C[6a]C[5])(N[5]N[5]B)(SCu)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S)	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]2H)	C[5](N[5]C[6a]C[5])(N[5]N[5]B)(SCu){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S){1|B<4>,2|C<3>,2|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]2H){1|C<3>,1|C<4>}	105.5557	0.291	3	105.5557	0.085	3	105.5557	0.085	3	105.5557	0.085	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:As-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(AsAs)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(AsAs){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	105.6720	0.000	1	105.6720	0.000	1	104.6001	0.337	8	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:As-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(AsH)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(AsH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	104.6917	0.470	3	104.6917	0.220	3	104.6001	0.337	8	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:As-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(AsSi)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(AsSi){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	104.2635	0.311	4	104.2635	0.097	4	104.6001	0.337	8	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CP)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CP){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	104.5710	0.000	1	104.5710	0.000	1	104.5710	0.000	1	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Ge-2:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]C)2(GeCl)	N[5](C[5]N[5]Ge)(C[5]C[5]H)(CC[6a]N)	N[5](C[5]N[5]Ge)(C[5]C[5]H)(CC[6a]N)	C[5](N[5]C[5]C)2(GeCl){2|H<1>}	N[5](C[5]N[5]Ge)(C[5]C[5]H)(CC[6a]N){1|C<3>,1|H<1>}	N[5](C[5]N[5]Ge)(C[5]C[5]H)(CC[6a]N){1|C<3>,1|H<1>}	107.7130	0.000	1	107.7130	0.000	1	107.7130	0.000	1	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Ge-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(GeGe)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(GeGe){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	103.7367	0.057	3	103.7367	0.003	3	103.7367	0.003	3	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NAl)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NAl){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	102.3687	0.671	4	102.3687	0.450	4	105.0898	3.202	65	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NC)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NC){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	106.7117	0.197	4	106.7117	0.039	4	105.0898	3.202	65	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NC[6a])	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NC[6a]){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	104.6290	0.000	1	104.6290	0.000	1	105.0898	3.202	65	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NGe)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NGe){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	105.2975	0.416	2	105.2975	0.173	2	105.0898	3.202	65	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	104.1960	0.000	2	104.1960	0.000	2	105.0898	3.202	65	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NN)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NN){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	106.7045	0.959	19	106.7045	0.920	19	105.0898	3.202	65	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NNi)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NNi){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	105.7220	0.000	1	105.7220	0.000	1	105.0898	3.202	65	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NO)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NO){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	106.7577	0.999	3	106.7577	0.998	3	105.0898	3.202	65	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NP)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NP){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	107.0405	0.142	2	107.0405	0.020	2	105.0898	3.202	65	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NRu)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NRu){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	104.2970	0.000	1	104.2970	0.000	1	105.0898	3.202	65	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NSc)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NSc){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	101.9347	0.419	3	101.9347	0.175	3	105.0898	3.202	65	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NSi)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NSi){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	103.2898	0.461	9	103.2898	0.213	9	105.0898	3.202	65	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NSi[4])	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NSi[4]){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	104.6603	0.955	4	104.6603	0.912	4	105.0898	3.202	65	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NSi[5,6])	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NSi[5,6]){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	103.9730	0.000	1	103.9730	0.000	1	105.0898	3.202	65	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NTi)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NTi){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	104.2793	1.162	4	104.2793	1.350	4	105.0898	3.202	65	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NV)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NV){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	105.2045	1.223	2	105.2045	1.495	2	105.0898	3.202	65	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NW)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NW){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	104.7765	0.927	2	104.7765	0.859	2	105.0898	3.202	65	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NZr)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NZr){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	104.0330	0.000	1	104.0330	0.000	1	105.0898	3.202	65	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PAs)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PAs){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	104.5225	0.651	6	104.5225	0.424	6	104.6786	0.792	32	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PBr)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PBr){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	105.9710	0.000	1	105.9710	0.000	1	104.6786	0.792	32	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PC)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PC){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	103.5190	0.000	1	103.5190	0.000	1	104.6786	0.792	32	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PC[6a])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PC[6a]){2|O<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]P){1|O<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]P){1|O<1>,2|C<4>,3|C<3>}	104.8720	0.000	1	104.8720	0.000	1	104.6786	0.792	32	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PGe)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PGe){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	104.0445	0.057	2	104.0445	0.003	2	104.6786	0.792	32	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	105.1670	1.243	3	105.1670	1.546	3	104.6786	0.792	32	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PHg)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PHg){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	103.5950	0.000	1	103.5950	0.000	1	104.6786	0.792	32	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PP)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PP){2|Cl<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P){1|Cl<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P){1|Cl<1>,2|C<4>,3|C<3>}	106.5690	0.000	1	106.5690	0.000	1	104.6786	0.792	32	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PP)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PP){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	104.8287	0.796	13	104.8287	0.634	13	104.6786	0.792	32	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PP[3])	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PP[3]){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	103.7480	0.110	2	103.7480	0.012	2	104.6786	0.792	32	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PSn)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PSn){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	104.1940	0.000	1	104.1940	0.000	1	104.6786	0.792	32	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(SBi)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])2(SBi){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	106.1070	0.280	3	106.1070	0.079	3	106.4841	0.470	14	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(SCu)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])2(SCu){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	106.1530	0.428	6	106.1530	0.183	6	106.4841	0.470	14	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(SH)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])2(SH){1|B<4>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,2|C<4>,3|C<3>}	108.0100	0.000	1	108.0100	0.000	1	106.4841	0.470	14	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(SI)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])2(SI){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	106.3915	0.114	2	106.3915	0.013	2	106.4841	0.470	14	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(SS)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])2(SS){1|B<4>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,2|C<4>,3|C<3>}	107.3725	0.131	2	107.3725	0.017	2	106.4841	0.470	14	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SeZn)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SeZn){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]2){1|C<3>,1|H<1>}	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(SeAg)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(SeAg){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	106.1344	0.815	5	106.1344	0.664	5	106.1610	0.282	24	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(SeAu)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(SeAu){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	106.4360	0.000	1	106.4360	0.000	1	106.1610	0.282	24	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(SeBi)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(SeBi){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	106.0780	0.174	4	106.0780	0.030	4	106.1610	0.282	24	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(SeCu)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])2(SeCu){2|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]C){3|C<3>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]C){3|C<3>,3|C<4>}	106.4770	0.000	1	106.4770	0.000	1	106.1610	0.282	24	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(SeCu)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(SeCu){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	106.0478	0.411	12	106.0478	0.169	12	106.1610	0.282	24	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(SeN)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(SeN){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	107.3940	0.000	1	107.3940	0.000	1	106.1610	0.282	24	105.2810	2.155	149	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NC)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N)	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NC){2|C<3>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH){1|C<3>,1|O<1>}	104.4740	0.000	1	104.4740	0.000	1	104.4740	0.000	1	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:O-2:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C[6])(N[5]C[5]C)(OCu)	N[5](C[5]C[5]H)(C[5]N[5]O)(C[6]N[6]2)	N[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]HH)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(OCu){1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]O)(C[6]N[6]2){1|Cu<6>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>}	106.5110	0.000	1	106.5110	0.000	1	106.5110	0.000	1	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:P-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PP)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[5]C[5]H)(C[5]N[5]P)(CN[5]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PP){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CN[5]HH){1|C<3>,1|H<1>}	104.0010	0.000	1	104.0010	0.000	1	104.0010	0.000	1	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SPd)	N[5](C[5]C[5]H)(C[5]N[5]S)(CPdN)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SPd){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CPdN){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<3>,1|H<1>}	107.3660	0.079	2	107.3660	0.006	2	107.3660	0.006	2	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SCd)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SCd){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<3>,1|H<1>}	105.5053	0.603	3	105.5053	0.364	3	107.2206	0.448	44	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SCo)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SCo){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<3>,1|H<1>}	106.9770	0.400	2	107.2450	0.150	4	107.2206	0.448	44	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SCo)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SCo){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<3>,1|H<1>}	107.5130	0.061	2	107.2450	0.150	4	107.2206	0.448	44	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SCu)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SCu){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<3>,1|H<1>}	106.9790	0.547	3	106.9790	0.299	3	107.2206	0.448	44	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SFe)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SFe){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<3>,1|H<1>}	106.9280	0.230	4	106.9280	0.053	4	107.2206	0.448	44	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SMn)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SMn){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<3>,1|H<1>}	106.9150	0.000	1	106.8845	0.002	2	107.2206	0.448	44	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SMn)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SMn){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<3>,1|H<1>}	106.8540	0.000	1	106.8845	0.002	2	107.2206	0.448	44	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SNi)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SNi){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<3>,1|H<1>}	107.5500	0.000	1	107.5500	0.000	1	107.2206	0.448	44	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SRu)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]3)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SRu){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]3){1|C<3>,1|H<1>}	106.8367	0.209	3	106.8367	0.044	3	107.2206	0.448	44	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SZn)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SZn){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<3>,1|H<1>}	107.5918	0.312	18	107.5722	0.180	24	107.2206	0.448	44	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SZn)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SZn){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<3>,1|H<1>}	107.5137	0.700	6	107.5722	0.180	24	107.2206	0.448	44	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SCu)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SCu){1|C<3>,1|N<2>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<3>,1|H<1>}	105.0580	0.000	1	105.0580	0.000	1	106.1360	0.914	3	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SPd)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SPd){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>}	106.6750	0.290	2	106.6750	0.084	2	106.1360	0.914	3	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SeCo)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SeCo){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	107.5630	0.000	1	107.5630	0.000	1	107.4578	1.339	11	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SeHg)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SeHg){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	107.8220	0.000	1	107.8220	0.000	1	107.4578	1.339	11	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SeRe)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SeRe){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	107.8057	0.279	3	107.8057	0.078	3	107.4578	1.339	11	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SeZn)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(SeZn){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	107.2057	1.572	6	107.2057	2.470	6	107.4578	1.339	11	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SeCd)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SeCd){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	106.3600	0.000	1	106.3600	0.000	1	106.8416	0.673	7	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SeCu)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SeCu){1|C<3>,1|N<2>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Se)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	105.4810	0.000	1	105.4810	0.000	1	106.8416	0.673	7	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SePd)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SePd){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	106.7260	0.184	2	107.0573	0.346	3	106.8416	0.673	7	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SePd)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SePd){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	107.7200	0.000	1	107.0573	0.346	3	106.8416	0.673	7	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SeZn)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SeZn){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	107.4390	0.639	2	107.4390	0.409	2	106.8416	0.673	7	107.0823	0.881	70	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:3:	4:3:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(NC[6a])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(NC[6a]){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	106.0005	0.264	2	106.0005	0.070	2	106.0005	0.070	2	106.0005	0.070	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:2:1:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]C)(N[5]N[5]H)(SPd)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3)	N[5](C[5]N[5]S)(N[5]C[5])(H)	C[5](N[5]C[5]C)(N[5]N[5]H)(SPd){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3){1|H<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	105.5580	0.000	1	105.5580	0.000	1	105.5580	0.000	1	105.5580	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(NN)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(NN){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC[6a]HH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(H){1|C<4>,1|H<1>}	107.1150	0.000	1	107.1150	0.000	1	107.1150	0.000	1	107.1150	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:2:	N[5]-3:N[5]-3:N-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N-2:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(NN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(NN){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH){1|H<1>,1|N<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC){1|C<4>,1|H<1>,2|C<3>}	106.9740	0.000	1	106.9740	0.000	1	106.9740	0.000	1	106.9740	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:As-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(AsC[6a])	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(AsC[6a]){2|C<4>}	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3){2|C<4>}	104.9980	0.000	1	104.9980	0.000	1	105.2945	0.176	2	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:As-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(AsC[6a])	N[5](C[5]N[5]As)(C[5]C[5]H)(CCCH)	N[5](C[5]N[5]As)(C[5]C[5]H)(CCCH)	C[5](N[5]C[5]C)2(AsC[6a]){2|H<1>}	N[5](C[5]N[5]As)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]N[5]As)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	105.5910	0.000	1	105.5910	0.000	1	105.2945	0.176	2	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CC)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CC){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	107.9735	0.602	2	107.9735	0.362	2	107.9735	0.362	2	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(NH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH)	C[5](N[5]C[5,6a]C)2(NH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>,2|C<3>}	106.3130	0.440	2	106.3130	0.193	2	107.0322	1.039	6	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(NH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	C[5](N[5]C[5,6a]C)2(NH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	106.2790	0.000	1	106.2790	0.000	1	107.0322	1.039	6	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(NN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CC[6a]HH)	C[5](N[5]C[5,6a]C)2(NN){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	107.9695	1.241	2	107.9695	1.540	2	107.0322	1.039	6	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(NN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	C[5](N[5]C[5,6a]C)2(NN){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.3490	0.000	1	107.3490	0.000	1	107.0322	1.039	6	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]S)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(SC[6a]OO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]S)(NS){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){1|H<1>,1|S<4>,2|C<3>}	106.8460	0.000	1	106.8460	0.000	1	106.8460	0.000	1	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NC){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	107.5623	0.494	4	107.5623	0.244	4	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C[5](N[5]C[5]C)2(NC){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	106.3960	1.345	4	106.3960	1.810	4	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[5])	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NC[5]){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	105.7170	0.000	1	105.7170	0.000	1	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[6a])	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NC[6a]){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	106.7000	0.000	1	106.7000	0.000	1	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[6a])	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NC[6a]){2|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH){1|C<4>,1|O<1>}	106.5180	0.000	1	106.5180	0.000	1	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NFe)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NFe){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	106.2920	0.000	1	106.2920	0.000	1	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	106.8710	2.519	2	106.8710	6.344	2	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NH)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C[5](N[5]C[5]C)2(NH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	105.2780	0.000	1	105.2780	0.000	1	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NN)	N[5](C[5]C[5]C)(C[5]N[5]N)(CC3)	N[5](C[5]C[5]C)(C[5]N[5]N)(CC3)	C[5](N[5]C[5]C)2(NN){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CC3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CC3){2|C<4>}	110.1100	0.000	1	110.1100	0.000	1	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NN)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NN){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	106.9490	0.000	1	106.9490	0.000	1	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NN)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C[5](N[5]C[5]C)2(NN){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	109.6190	0.000	1	109.6190	0.000	1	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NN)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NN){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>}	107.6670	0.000	1	107.6670	0.000	1	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NN)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NN){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|H<1>}	107.0100	0.000	1	107.0100	0.000	1	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NN)	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NN){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|H<1>}	106.7993	0.141	4	106.7993	0.020	4	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NP)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NP){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	106.1761	0.778	7	106.1761	0.606	7	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NSi)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C[5](N[5]C[5]C)2(NSi){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	104.8121	0.995	14	104.8121	0.991	14	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NSi)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]Si)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NSi){1|Si<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH){1|Si<4>,1|C<4>}	N[5](C[5]C[5]Si)(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>}	103.8490	0.000	1	103.8490	0.000	1	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NSi[3])	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C[5](N[5]C[5]C)2(NSi[3]){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	104.7460	0.000	1	104.7460	0.000	1	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NSi[4,5])	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C[5](N[5]C[5]C)2(NSi[4,5]){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	104.6860	0.281	2	104.6860	0.079	2	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NTi)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C[5](N[5]C[5]C)2(NTi){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	105.9749	0.517	7	105.9749	0.267	7	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NW)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C[5](N[5]C[5]C)2(NW){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	105.6960	0.000	1	105.6960	0.000	1	106.0477	1.981	57	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:O-2:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(OGa)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(BN[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(OGa){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(BN[5]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3){1|B<4>,1|H<1>,2|C<3>}	110.4622	0.273	4	110.4622	0.075	4	110.2410	0.301	5	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:O-2:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(ORe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(BN[5]2H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(ORe){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(BN[5]2H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3){1|B<4>,1|H<1>,2|C<3>}	109.3560	0.000	1	109.3560	0.000	1	110.2410	0.301	5	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:O-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(OLi)	N[5](C[5]C[5]H)(C[5]N[5]O)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(OLi){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]O)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3){1|B<4>,1|H<1>}	107.9467	0.312	4	107.9467	0.097	4	107.9796	0.078	5	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:O-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(ORe)	N[5](C[5]C[5]H)(C[5]N[5]O)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(ORe){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]O)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3){1|B<4>,1|H<1>}	108.1110	0.000	1	108.1110	0.000	1	107.9796	0.078	5	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:O-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(OCu)	N[5](C[5]C[5]H)(C[5]N[5]O)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	C[5](N[5]C[5]C)2(OCu){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<4>,1|H<1>}	105.8210	0.000	1	105.8210	0.000	1	105.8210	0.000	1	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(PC[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CCCH)	C[5](N[5]C[5,6a]C)2(PC[5]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>,2|C<3>}	107.7315	0.499	2	107.7315	0.249	2	107.4275	0.172	10	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(PC[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3)	C[5](N[5]C[5,6a]C)2(PC[5]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.3515	0.391	8	107.3515	0.153	8	107.4275	0.172	10	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PC)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PC){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	104.2380	0.112	2	104.2380	0.012	2	105.6613	0.897	20	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PC[5])	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	C[5](N[5]C[5]C)2(PC[5]){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	106.2450	0.416	2	106.2450	0.173	2	105.6613	0.897	20	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PC[5])	N[5](C[5]C[5]C)(C[5]N[5]P)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCHH)	C[5](N[5]C[5]C)2(PC[5]){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CCHH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CCHH){2|C<4>}	106.2710	0.133	2	106.2710	0.018	2	105.6613	0.897	20	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PC[5])	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PC[5]){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	105.5848	0.239	6	105.5848	0.057	6	105.6613	0.897	20	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PC[5])	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH)	C[5](N[5]C[5]C)2(PC[5]){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>}	105.5900	0.000	1	105.5900	0.000	1	105.6613	0.897	20	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PC[6a])	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PC[6a]){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	104.5970	0.102	3	104.5970	0.010	3	105.6613	0.897	20	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PC[6a])	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH)	C[5](N[5]C[5]C)2(PC[6a]){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>}	105.2730	0.000	1	105.2730	0.000	1	105.6613	0.897	20	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PH)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH)	C[5](N[5]C[5]C)2(PH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>}	107.4160	0.000	1	107.4160	0.000	1	105.6613	0.897	20	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PN)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	C[5](N[5]C[5]C)2(PN){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	107.0695	0.644	2	107.0695	0.415	2	105.6613	0.897	20	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(SRe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]2H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(SRe){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|B<4>,1|H<1>,2|C<3>}	109.3300	0.114	6	109.3300	0.013	6	109.3300	0.013	6	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(SCu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C[5](N[5]C[5,6a]C)2(SCu){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	107.5658	0.781	4	107.5658	0.610	4	107.4596	0.478	9	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(SI)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	C[5](N[5]C[5,6a]C)2(SI){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.3760	0.000	1	108.3760	0.000	1	107.4596	0.478	9	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(SIr)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CHHS)	C[5](N[5]C[5,6a]C)2(SIr){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CHHS){1|C<4>,1|H<1>,2|C<3>}	106.9920	0.000	1	106.9920	0.000	1	107.4596	0.478	9	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(SIr)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CSeHH)	C[5](N[5]C[5,6a]C)2(SIr){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CSeHH){1|C<4>,1|H<1>,2|C<3>}	106.5280	0.000	1	106.5280	0.000	1	107.4596	0.478	9	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(SRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CHHS)	C[5](N[5]C[5,6a]C)2(SRu){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CHHS){1|C<4>,1|H<1>,2|C<3>}	107.3940	0.000	1	107.3940	0.000	1	107.4596	0.478	9	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(SRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CSeHH)	C[5](N[5]C[5,6a]C)2(SRu){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CSeHH){1|C<4>,1|H<1>,2|C<3>}	107.5830	0.000	1	107.5830	0.000	1	107.4596	0.478	9	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SAg)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SAg){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	107.1310	0.000	1	107.1310	0.000	1	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SAg)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SAg){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.6225	0.259	4	107.6225	0.067	4	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SAl)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SAl){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	109.1400	0.045	2	109.1400	0.002	2	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SAl)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SAl){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	108.8590	0.000	1	108.8590	0.000	1	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SBi)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SBi){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	107.8447	0.404	3	107.8447	0.163	3	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SBi)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SBi){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.2140	0.614	3	107.2140	0.377	3	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SC)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SC){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	108.8560	0.253	2	108.8560	0.064	2	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SC)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SC){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	108.5450	0.246	2	108.5450	0.061	2	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SCd)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SCd){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	107.9695	0.418	38	107.9695	0.175	38	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SCd)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]B)(N[5]C[5]C)(SCd){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|B<4>,1|H<1>}	107.5210	0.046	3	107.5210	0.002	3	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SCd)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SCd){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	108.1125	0.286	4	108.1125	0.082	4	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SCo)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Co)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SCo){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Co){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	109.2373	0.130	3	109.2373	0.017	3	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SCo)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SCo){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	107.7954	0.297	11	107.7954	0.088	11	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SCo)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SCo){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.5453	0.034	3	107.5453	0.001	3	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SCr)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SCr){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	108.0745	0.278	2	108.0745	0.077	2	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SCu)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SCu){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	107.4060	0.000	1	107.4060	0.000	1	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SFe)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SFe){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	107.4460	0.000	1	107.4460	0.000	1	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SFe)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SFe){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.2970	0.116	3	107.2970	0.014	3	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	108.7461	0.478	21	108.7461	0.229	21	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	108.5629	1.136	7	108.5629	1.291	7	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	108.4835	0.459	2	108.4835	0.211	2	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SHg)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SHg){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	107.8760	0.557	20	107.8760	0.311	20	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SHg)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SHg){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	108.1393	0.287	4	108.1393	0.083	4	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SIn)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SIn){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	108.0786	0.336	8	108.0786	0.113	8	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SIn)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SIn){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	108.2931	0.369	8	108.2931	0.136	8	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SIn)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SIn){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	109.0835	0.223	2	109.0835	0.050	2	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SIn[4])	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SIn[4]){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	108.0768	1.326	4	108.0768	1.759	4	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SIr)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Ir)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SIr){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Ir){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	108.3333	0.344	3	108.3333	0.118	3	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SIr)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]IrH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SIr){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]IrH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	108.2700	0.293	2	108.2700	0.086	2	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SMn)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SMn){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.6530	0.511	2	107.6530	0.261	2	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SMo)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SMo){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.6647	0.732	9	107.6647	0.536	9	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SMo)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SMo){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	108.0120	0.190	2	108.0120	0.036	2	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SNb)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SNb){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	108.2653	1.904	3	108.2653	3.625	3	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SNi)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Cl)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SNi){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Cl){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	107.1350	0.000	1	107.1350	0.000	1	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SNi)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2F)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SNi){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2F){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	107.6010	0.000	1	107.6010	0.000	1	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SNi)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SNi){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.3583	0.362	9	107.3583	0.131	9	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SNi)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2N)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SNi){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2N){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	107.9217	0.365	3	107.9217	0.133	3	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SNi)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Ni)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SNi){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Ni){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	108.5594	0.294	10	108.5594	0.087	10	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SPd)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2C)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SPd){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2C){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.1515	0.254	2	107.1515	0.064	2	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SPd)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2O)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SPd){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2O){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	107.8517	0.332	4	107.8517	0.110	4	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SRe)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2C)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SRe){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2C){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	108.0383	0.709	6	108.0383	0.503	6	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SRe)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SRe){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	109.2650	0.000	1	109.2650	0.000	1	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SRe)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SRe){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	108.8362	1.035	5	108.8362	1.071	5	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SRh)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2F)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SRh){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2F){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.3590	0.155	4	107.3590	0.024	4	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SRh)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SRh){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.5652	0.519	4	107.5652	0.269	4	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SRh)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Rh)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SRh){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Rh){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	108.2013	0.429	3	108.2013	0.184	3	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SRh)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SRh){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.6865	0.037	2	107.6865	0.001	2	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SRu)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]B)(N[5]C[5]C)(SRu){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|B<4>,1|H<1>}	107.7930	0.269	3	107.7930	0.072	3	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SRu)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2N)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SRu){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2N){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.5689	0.422	10	107.5689	0.178	10	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SRu)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Ru)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SRu){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Ru){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	108.2012	0.507	6	108.2012	0.257	6	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SRu)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]RuH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SRu){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]RuH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	108.5154	0.237	8	108.5154	0.056	8	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(STe)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(STe){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.6960	0.396	4	107.6960	0.157	4	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SZn)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SZn){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	107.8828	0.309	18	107.8828	0.095	18	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SZn)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C[5](N[5]C[5]B)(N[5]C[5]C)(SZn){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|B<4>,1|H<1>}	107.9587	0.181	3	107.9587	0.033	3	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SZn)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]B)(N[5]C[5]C)(SZn){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|B<4>,1|H<1>}	107.4573	0.135	3	107.4573	0.018	3	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SZn)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SZn){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.4120	0.215	2	107.4120	0.046	2	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SZn)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SZn){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	108.0200	0.257	4	108.0200	0.066	4	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SZr)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SZr){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.1318	0.311	6	107.1318	0.097	6	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SZr)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SZr){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	108.2085	0.416	2	108.2085	0.173	2	108.0167	0.421	308	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SAl)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	C[5](N[5]C[5]C)2(SAl){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	107.7270	0.000	1	107.7270	0.000	1	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SBi)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C[5](N[5]C[5]C)2(SBi){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	105.3815	0.353	2	105.3815	0.125	2	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SBi)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SBi){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	106.1976	1.009	19	106.1976	1.018	19	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SC)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	C[5](N[5]C[5]C)2(SC){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	108.7550	0.000	1	108.7550	0.000	1	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SC)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SC){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	107.6220	0.000	1	107.6220	0.000	1	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SC[5])	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SC[5]){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	107.9340	0.154	2	107.9340	0.024	2	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SC[6a])	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	N[5](C[5]C[5]I)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SC[6a]){1|H<1>,1|I<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|I<1>}	N[5](C[5]C[5]I)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	105.3770	0.000	1	105.3770	0.000	1	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SCu)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	C[5](N[5]C[5]C)2(SCu){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	107.3840	0.000	1	107.3840	0.000	1	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SCu)	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SCu){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3){2|C<4>}	106.2065	0.460	2	106.2065	0.212	2	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SCu)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SCu){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	106.1761	0.391	12	106.1761	0.153	12	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SFe)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SFe){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	106.4500	0.615	2	106.4500	0.378	2	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SHg)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]C)2(SHg){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	106.6930	0.486	3	106.6930	0.236	3	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SIr)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SIr){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	107.1740	1.207	10	107.1740	1.457	10	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SIr)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SIr){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	107.3133	1.457	12	107.3133	2.122	12	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SNi)	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SNi){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3){2|C<4>}	106.5460	0.000	1	106.5460	0.000	1	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SP)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	C[5](N[5]C[5]C)2(SP){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	107.5470	0.000	1	107.5470	0.000	1	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SPd)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]C)2(SPd){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	106.6010	0.000	1	106.6010	0.000	1	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SPd)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SPd){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	106.9205	0.313	2	106.9205	0.098	2	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SPd)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	C[5](N[5]C[5]C)2(SPd){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	106.2607	0.449	3	106.2607	0.201	3	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SPd)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SPd){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	105.8010	0.000	1	105.8010	0.000	1	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SPt)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SPt){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	106.5615	0.531	2	106.5615	0.282	2	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SRh)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	C[5](N[5]C[5]C)2(SRh){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	107.0680	0.000	1	107.0680	0.000	1	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SRh)	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SRh){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3){2|C<4>}	106.3120	0.000	1	106.3120	0.000	1	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SRh)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SRh){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	106.0320	0.556	3	106.0320	0.309	3	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SRh)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SRh){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	105.7853	0.262	6	105.7853	0.069	6	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SS)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SS){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	107.6555	0.029	2	107.6555	0.001	2	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SZn)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SZn){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	106.0725	0.255	2	106.0725	0.065	2	106.5910	1.066	95	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(SeC)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH)	C[5](N[5]C[5,6]C)2(SeC){2|P<2>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH){1|C<3>,1|C<4>,1|P<2>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH){1|C<3>,1|C<4>,1|P<2>}	108.7565	0.074	2	108.7565	0.006	2	108.7565	0.006	2	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(SeCu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C[5](N[5]C[5,6a]C)2(SeCu){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	107.8007	0.594	4	107.8007	0.353	4	108.6173	1.523	21	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(SeCu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C[5](N[5]C[5,6a]C)2(SeCu){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.3965	0.747	2	107.3965	0.559	2	108.6173	1.523	21	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(SeIr)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CHHS)	C[5](N[5]C[5,6a]C)2(SeIr){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CHHS){1|C<4>,1|H<1>,2|C<3>}	107.2140	0.000	1	107.2140	0.000	1	108.6173	1.523	21	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(SeIr)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CSeHH)	C[5](N[5]C[5,6a]C)2(SeIr){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CSeHH){1|C<4>,1|H<1>,2|C<3>}	106.1160	0.000	1	106.1160	0.000	1	108.6173	1.523	21	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(SeRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CHHS)	C[5](N[5]C[5,6a]C)2(SeRu){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CHHS){1|C<4>,1|H<1>,2|C<3>}	108.1860	0.000	1	108.1860	0.000	1	108.6173	1.523	21	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(SeRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CSeHH)	C[5](N[5]C[5,6a]C)2(SeRu){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CSeHH){1|C<4>,1|H<1>,2|C<3>}	109.4160	0.000	1	109.4160	0.000	1	108.6173	1.523	21	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(SeSe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH)	C[5](N[5]C[5,6a]C)2(SeSe){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH){1|C<4>,1|H<1>,2|C<3>}	109.9543	0.395	4	109.9543	0.156	4	108.6173	1.523	21	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(SeSe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C[5](N[5]C[5,6a]C)2(SeSe){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	109.9273	0.591	3	109.9273	0.349	3	108.6173	1.523	21	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(SeTe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C[5](N[5]C[5,6a]C)2(SeTe){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	108.6093	0.479	4	108.6093	0.229	4	108.6173	1.523	21	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SeRe)	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]2H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SeRe){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]2H){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>}	107.4230	0.759	2	107.4230	0.577	2	107.8952	0.282	6	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SeZn)	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]HH)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SeZn){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>}	108.1312	0.234	4	108.1312	0.055	4	107.8952	0.282	6	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeAg)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C[5](N[5]C[5]C)2(SeAg){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	106.5185	0.299	2	106.5185	0.089	2	106.7124	0.682	50	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeBi)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C[5](N[5]C[5]C)2(SeBi){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	106.0690	0.064	2	106.0690	0.004	2	106.7124	0.682	50	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeBr)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(SeBr){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	108.4630	0.000	1	108.4630	0.000	1	106.7124	0.682	50	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeC[5])	N[5](C[5]N[5]Se)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Se)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(SeC[5]){2|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]C)(CCCH){2|C<4>}	108.2340	0.218	2	108.2340	0.047	2	106.7124	0.682	50	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeCu)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(SeCu){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.2907	0.711	9	106.2907	0.505	9	106.7124	0.682	50	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeCu)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(SeCu){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.0275	0.172	2	106.0275	0.030	2	106.7124	0.682	50	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeFe)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(SeFe){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.8090	0.112	2	106.8090	0.012	2	106.7124	0.682	50	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeHg)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(SeHg){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.4062	0.873	4	106.4062	0.762	4	106.7124	0.682	50	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeIr)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(SeIr){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	107.7865	0.506	2	107.7865	0.256	2	106.7124	0.682	50	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SePt)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(SePt){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	105.4320	0.764	2	105.4320	0.583	2	106.7124	0.682	50	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeRh)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(SeRh){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.0180	0.091	2	106.0180	0.008	2	106.7124	0.682	50	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeSe)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(SeSe){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	107.3140	0.271	6	107.3140	0.073	6	106.7124	0.682	50	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeTe)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(SeTe){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.2640	0.000	1	106.2640	0.000	1	106.7124	0.682	50	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeTe)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(SeTe){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.8815	1.320	2	106.8815	1.743	2	106.7124	0.682	50	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeZn)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(SeZn){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	107.0038	0.744	5	107.0038	0.554	5	106.7124	0.682	50	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeZn)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C[5](N[5]C[5]C)2(SeZn){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	106.9515	0.474	2	106.9515	0.225	2	106.7124	0.682	50	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeZn)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(SeZn){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.5740	0.360	4	106.5740	0.129	4	106.7124	0.682	50	107.4333	1.515	606	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	4:3:1:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[6a])	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]CC)(C[5]N[5]N)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[6a]){1|O<1>,2|C<4>}	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH){1|H<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]N)(H){1|C<4>,1|O<1>}	106.5370	0.000	1	106.5370	0.000	1	106.8373	1.057	3	106.8373	1.057	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	4:3:1:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[6a])	N[5](C[5]C[5]O)(C[5]N[5]N)(CCHH)	N[5](C[5]C[5]CH)(C[5]N[5]N)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[6a]){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]N)(CCHH){1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]N)(H){1|C<4>,1|O<1>}	105.9930	0.000	1	105.9930	0.000	1	106.8373	1.057	3	106.8373	1.057	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	4:3:1:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(NS)	N[5](C[5]C[5]O)(C[5]N[5]N)(CC[6a]HH)	N[5](C[5]C[5]CC)(C[5]N[5]N)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(NS){1|O<1>,2|C<4>}	N[5](C[5]C[5]O)(C[5]N[5]N)(CC[6a]HH){1|H<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]N)(H){1|C<4>,1|O<1>}	107.9820	0.000	1	107.9820	0.000	1	106.8373	1.057	3	106.8373	1.057	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	4:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SBi)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SBi){3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	107.3550	0.000	1	107.3550	0.000	1	107.3550	0.000	1	107.3550	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:5:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-5:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SRe)	N[5](C[5]C[5]H)(C[5]N[5]S)(BReH3)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SRe){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BReH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<5>,1|H<1>}	108.3945	0.224	2	108.3945	0.050	2	108.4200	0.027	3	108.4200	0.027	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:3:5:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:B-5:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(STc)	N[5](C[5]C[5]H)(C[5]N[5]S)(BTcH3)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(STc){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BTcH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<5>,1|H<1>}	108.4710	0.000	1	108.4710	0.000	1	108.4200	0.027	3	108.4200	0.027	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:4:2:	3:2:1:	N[5]-3:N[5]-3:N-2:	C[5]-3:C-4:N[5]-2:	C[5]-3:N[5]-2:H-1:	C[5](N[5]N[5]C)(N[5]N[5]H)(NN)	N[5](C[5]N[5]N)(CC[5a]HH)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(H)	C[5](N[5]N[5]C)(N[5]N[5]H)(NN)	N[5](C[5]N[5]N)(CC[5a]HH)(N[5]N[5]){1|H<1>}	N[5](C[5]N[5]N)(N[5]N[5])(H){1|C<4>}	103.8030	0.000	1	103.8030	0.000	1	103.8030	0.000	1	103.8030	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:4:2:	3:2:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:B-4:N[5]-2:	C[5]-3:N[5]-2:C-4:	C[5](N[5]N[5]B)(N[5]N[5]C)(SIr)	N[5](C[5]N[5]S)(BN[5]IrH)(N[5]N[5])	N[5](C[5]N[5]S)(N[5]N[5])(CC3)	C[5](N[5]N[5]B)(N[5]N[5]C)(SIr)	N[5](C[5]N[5]S)(BN[5]IrH)(N[5]N[5]){1|C<4>}	N[5](C[5]N[5]S)(N[5]N[5])(CC3){1|B<4>}	105.0485	0.660	2	105.0485	0.435	2	105.0485	0.435	2	105.0485	0.435	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:4:2:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-3:B-4:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]N[5]B)(SRh)	N[5](C[5]N[5]S)(BN[5]2Rh)(N[5]C[5])	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]C)(N[5]N[5]B)(SRh){1|C<4>}	N[5](C[5]N[5]S)(BN[5]2Rh)(N[5]C[5]){2|C<4>}	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|B<4>}	106.8580	0.557	6	106.8580	0.310	6	106.8580	0.310	6	106.8580	0.310	6	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:B-2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(BB)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BB){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	106.7610	0.000	1	106.7610	0.000	1	106.7610	0.000	1	109.1065	5.808	17	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(NN)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NN){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N){2|C<4>,2|H<1>,3|C<3>}	110.5990	0.000	1	110.5990	0.000	1	109.2397	1.387	3	109.1065	5.808	17	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(NTi)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NTi){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N){2|C<4>,2|H<1>,3|C<3>}	108.5600	0.047	2	108.5600	0.002	2	109.2397	1.387	3	109.1065	5.808	17	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:P-2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(PAl)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PAl){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	105.4130	0.000	1	105.4130	0.000	1	106.7678	0.964	6	109.1065	5.808	17	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:P-2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(PBi)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PBi){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	106.1920	0.361	2	106.1920	0.130	2	106.7678	0.964	6	109.1065	5.808	17	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:P-2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(PP[3])	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PP[3]){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	107.4890	0.136	2	107.4890	0.018	2	106.7678	0.964	6	109.1065	5.808	17	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:P-2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(PP[5,5])	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PP[5,5]){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	107.8320	0.000	1	107.8320	0.000	1	106.7678	0.964	6	109.1065	5.808	17	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(SH)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])2(SH){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S){2|C<4>,2|H<1>,3|C<3>}	113.3000	0.115	2	113.3000	0.013	2	113.3000	0.013	2	109.1065	5.808	17	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(SeAg)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	C[5](N[5]C[6a]C[5])2(SeAg){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	110.5310	0.000	1	110.5310	0.000	1	110.6248	0.065	5	109.1065	5.808	17	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(SeCu)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	C[5](N[5]C[6a]C[5])2(SeCu){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	110.6483	0.287	4	110.6483	0.083	4	110.6248	0.065	5	109.1065	5.808	17	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:4:3:	4:3:1:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(NC)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(NC){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N){2|C<3>,5|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|C<3>,2|H<1>}	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	109.1805	0.189	8	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:4:3:	4:3:1:	N[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(SCu)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(SCu){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S){2|C<3>,5|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|C<3>,2|H<1>}	109.2211	0.452	7	109.2211	0.205	7	109.2211	0.205	7	109.1805	0.189	8	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	3:4:3:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NH)	N[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(C[5]N[5]N)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NH){2|C<3>,4|H<1>}	N[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(C[5]N[5]N){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<3>,2|H<1>}	110.5140	0.000	1	110.5140	0.000	1	110.5140	0.000	1	110.5140	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:N-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]H)2(NN)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(H)	C[5](N[5]C[5,5]H)2(NN){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(H){1|C<3>,1|N<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(H){1|C<3>,1|N<3>,3|H<1>}	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	110.1753	1.045	16	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(NC)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	N[5](C[5]C[5]CH)(C[5]N[5]N)(H)	C[5](N[5]C[5]H)2(NC){1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]N)(H){3|H<1>}	109.8360	0.000	1	109.8360	0.000	1	110.3975	2.047	4	110.1753	1.045	16	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(NC)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	C[5](N[5]C[5]H)2(NC){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){3|H<1>}	111.5020	0.000	1	111.5020	0.000	1	110.3975	2.047	4	110.1753	1.045	16	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(NC[6a])	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	C[5](N[5]C[5]H)2(NC[6a]){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){3|H<1>}	110.1260	2.111	2	110.1260	4.458	2	110.3975	2.047	4	110.1753	1.045	16	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]H)2(OH)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H)	C[5](N[5]C[5,5]H)2(OH){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H){1|N<3>,2|H<1>,4|C<3>}	112.0950	0.000	1	112.0950	0.000	1	112.0950	0.000	1	110.1753	1.045	16	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(OZn)	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](N[5]C[5]H)2(OZn){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){3|H<1>}	109.7130	0.000	1	109.7130	0.000	1	109.7130	0.000	1	110.1753	1.045	16	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:S-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(SAg)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	C[5](N[5]C[5]H)2(SAg){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	110.1540	0.000	1	110.1540	0.000	1	109.7836	0.334	9	110.1753	1.045	16	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:S-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(SCd)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	C[5](N[5]C[5]H)2(SCd){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	109.3465	0.052	2	109.3465	0.003	2	109.7836	0.334	9	110.1753	1.045	16	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:S-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(SCu)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	C[5](N[5]C[5]H)2(SCu){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	109.9496	0.690	5	109.9496	0.476	5	109.7836	0.334	9	110.1753	1.045	16	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:S-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(SW)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	C[5](N[5]C[5]H)2(SW){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	109.4570	0.000	1	109.4570	0.000	1	109.7836	0.334	9	110.1753	1.045	16	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	4:3:3:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[5a])	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCO)	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[5a]){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCO){3|H<1>}	107.9880	0.000	1	107.9880	0.000	1	107.6195	0.272	2	107.2523	0.540	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	4:3:3:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[6a])	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCO)	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[6a]){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCO){3|H<1>}	107.2510	0.000	1	107.2510	0.000	1	107.6195	0.272	2	107.2523	0.540	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	4:3:3:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:N-3:	C[5](N[5]C[5]H)(N[5]C[5]N)(NN)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(NOO)	C[5](N[5]C[5]H)(N[5]C[5]N)(NN){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|N<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(NOO){3|H<1>}	106.5180	0.000	1	106.5180	0.000	1	106.5180	0.000	1	107.2523	0.540	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(NC)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(NC){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){3|H<1>}	107.9530	0.000	1	107.9530	0.000	1	108.7440	1.251	2	109.9893	0.364	21	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(NN)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(NN){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){3|H<1>}	109.5350	0.000	1	109.5350	0.000	1	108.7440	1.251	2	109.9893	0.364	21	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	4:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(SCu)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(SCu){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	110.1220	0.403	16	110.1220	0.162	16	110.1204	0.145	19	109.9893	0.364	21	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	4:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(SCu)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(SCu){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3){3|H<1>}	110.1120	0.296	3	110.1120	0.088	3	110.1204	0.145	19	109.9893	0.364	21	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:2:	3:3:4:	N[5]-3:N[5]-3:S-2:	B-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]N[5]B)(SRh)	N[5](BN[5a]N[5]Rh)(C[5]N[5]S)(N[5]C[5])	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]C)(N[5]N[5]B)(SRh){1|C<4>}	N[5](BN[5a]N[5]Rh)(C[5]N[5]S)(N[5]C[5]){2|C<4>}	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|B<4>}	107.2395	0.790	2	107.2395	0.624	2	107.2395	0.624	2	107.2395	0.624	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	B-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SCr)	N[5](BN[5a]N[5]H)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SCr){2|H<1>}	N[5](BN[5a]N[5]H)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.9890	0.379	4	107.9890	0.143	4	107.7911	0.434	22	108.0213	0.487	35	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	B-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SCu)	N[5](BC[6a]N[5]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SCu){2|H<1>}	N[5](BC[6a]N[5]2)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	106.9177	0.368	3	106.9177	0.136	3	107.7911	0.434	22	108.0213	0.487	35	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	B-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SIr)	N[5](BN[5a]N[5]Ir)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SIr){2|H<1>}	N[5](BN[5a]N[5]Ir)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	108.6475	0.243	4	108.6475	0.059	4	107.7911	0.434	22	108.0213	0.487	35	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	B-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SMn)	N[5](BC[6a]N[5]2)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SMn){2|H<1>}	N[5](BC[6a]N[5]2)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.4827	0.444	3	107.4827	0.197	3	107.7911	0.434	22	108.0213	0.487	35	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	B-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SPt)	N[5](BN[5]N[6]Pt)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SPt){2|H<1>}	N[5](BN[5]N[6]Pt)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	108.8270	0.000	1	108.8270	0.000	1	107.7911	0.434	22	108.0213	0.487	35	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	B-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SRh)	N[5](BN[5]2N[6])(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SRh){2|H<1>}	N[5](BN[5]2N[6])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.4330	0.069	3	107.4330	0.005	3	107.7911	0.434	22	108.0213	0.487	35	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	B-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SRu)	N[5](BN[5a]N[5]H)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SRu){2|H<1>}	N[5](BN[5a]N[5]H)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.6330	0.454	4	107.6330	0.206	4	107.7911	0.434	22	108.0213	0.487	35	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	B[5a]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(SRu)	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(SRu){1|C<3>,2|H<1>,2|N<3>}	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	107.6195	0.025	2	107.6195	0.001	2	107.6195	0.001	2	108.0213	0.487	35	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	B[6,6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]B[6,6]C[5])(N[5]C[5]C)(SC)	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]B[6,6]C[5])(N[5]C[5]C)(SC){1|N<3>,2|C<4>,2|H<1>}	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]S){2|C<3>,3|H<1>,5|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	109.4040	0.000	1	109.4040	0.000	1	109.4040	0.000	1	108.0213	0.487	35	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[3x6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[3x6]C[5])(N[5]C[5]B)(SGa)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	C[5](N[5]C[3x6]C[5])(N[5]C[5]B)(SGa){2|H<1>,3|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,3|C<4>,7|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	108.6020	0.504	6	108.6020	0.254	6	108.4696	0.223	10	108.0213	0.487	35	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[3x6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[3x6]C[5])(N[5]C[5]B)(SIn)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	C[5](N[5]C[3x6]C[5])(N[5]C[5]B)(SIn){2|H<1>,3|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,3|C<4>,7|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	108.4540	0.192	3	108.4540	0.037	3	108.4696	0.223	10	108.0213	0.487	35	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	C[3x6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-4:	C[5](N[5]C[3x6]C[5])(N[5]C[5]B)(SZn)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	C[5](N[5]C[3x6]C[5])(N[5]C[5]B)(SZn){2|H<1>,3|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,3|C<4>,7|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	107.7220	0.000	1	107.7220	0.000	1	108.4696	0.223	10	108.0213	0.487	35	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5]C)2(NC[6a])	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCO)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCO)	C[5](N[5]C[5]C)2(NC[6a]){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCO){1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCO){1|C<3>,2|H<1>}	106.6705	0.194	2	106.6705	0.038	2	106.6705	0.038	2	107.4783	6.637	13	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:S-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])2(SC)	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]S)	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]S)	C[5](N[5]C[5,5]C[6a])2(SC){2|H<1>,2|O<2>,4|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]S){1|B<4>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]S){1|B<4>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	112.5815	0.295	2	112.5815	0.087	2	112.5815	0.087	2	107.4783	6.637	13	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:Se-2:	C[3x6]-4:C[5]-3:C[5]-3:	C[3x6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[3x6]C[5])2(SeAu)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[3x6]C[5])2(SeAu){2|H<1>,6|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H){4|C<4>,7|H<1>}	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H){4|C<4>,7|H<1>}	107.9930	1.558	2	107.9930	2.429	2	107.9930	2.429	2	107.4783	6.637	13	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:Se-2:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[5]C[6])2(SeAg)	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[5]C[6])2(SeAg){4|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H){3|C<4>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H){3|C<4>,5|H<1>}	105.8677	1.233	6	105.8677	1.520	6	106.1040	1.658	7	107.4783	6.637	13	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:Se-2:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[5]C[6])2(SeAu)	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[5]C[6])2(SeAu){4|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H){3|C<4>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H){3|C<4>,5|H<1>}	107.5220	0.000	1	107.5220	0.000	1	106.1040	1.658	7	107.4783	6.637	13	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	3:3:1:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(NC)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]N)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(NC){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]N)(H){1|C<4>,2|H<1>}	107.8400	0.411	7	107.8400	0.169	7	107.8400	0.169	7	107.8400	0.169	7	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[5a])	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[5a]){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|C<4>,2|H<1>}	109.1260	0.000	1	109.1260	0.000	1	109.9127	0.531	3	109.9127	0.531	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(NN)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[5a]HH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(NN){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[5a]HH){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|C<4>,2|H<1>}	110.0480	0.000	1	110.0480	0.000	1	109.9127	0.531	3	109.9127	0.531	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(NN)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(NN){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|C<4>,2|H<1>}	110.5640	0.000	1	110.5640	0.000	1	109.9127	0.531	3	109.9127	0.531	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NC){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.1750	0.000	1	108.1750	0.000	1	108.6408	0.767	17	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[5])	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NC[5]){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	108.5550	0.692	2	108.5550	0.478	2	108.6408	0.767	17	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[6])	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NC[6]){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	110.4420	0.000	1	110.4420	0.000	1	108.6408	0.767	17	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[6a])	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NC[6a]){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	108.1910	0.557	6	108.1910	0.311	6	108.6408	0.767	17	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NN)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	C[5](N[5]C[5]C)2(NN){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){1|C<4>,2|H<1>}	110.3920	0.000	1	110.3920	0.000	1	108.6408	0.767	17	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NP)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	C[5](N[5]C[5]C)2(NP){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){1|C<4>,2|H<1>}	108.7355	0.719	4	108.7355	0.516	4	108.6408	0.767	17	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NP)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NP){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	107.7410	0.000	1	107.7410	0.000	1	108.6408	0.767	17	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NTi)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC3)	C[5](N[5]C[5]C)2(NTi){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC3){1|C<4>,2|H<1>}	108.9450	0.000	1	108.9450	0.000	1	108.6408	0.767	17	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-2:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,5,6]C)2(OCd)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5,6]C)2(OCd){2|C<4>,2|N<3>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	108.8770	0.373	2	108.8770	0.139	2	109.4275	0.518	4	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-2:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,5,6]C)2(OLu)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5,6]C)2(OLu){2|C<4>,2|N<3>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	109.9780	0.451	2	109.9780	0.204	2	109.4275	0.518	4	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(ODy)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(ODy){2|C<4>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	110.8150	0.000	1	110.8150	0.000	1	109.6195	1.167	32	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(ODy)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(ODy){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	109.5615	0.344	2	109.5615	0.119	2	109.6195	1.167	32	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(OEr)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(OEr){2|C<4>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	110.8960	0.000	1	110.8960	0.000	1	109.6195	1.167	32	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(OEu)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(OEu){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	108.5417	0.971	4	108.5417	0.943	4	109.6195	1.167	32	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(OHo)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(OHo){2|C<4>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	110.9025	0.030	2	110.9025	0.001	2	109.6195	1.167	32	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(OLu)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(OLu){2|C<4>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	110.6590	0.000	1	110.6590	0.000	1	109.6195	1.167	32	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(OSm)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(OSm){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	109.5058	1.043	18	109.5058	1.089	18	109.6195	1.167	32	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(OYb)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(OYb){2|C<4>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	110.9390	0.000	1	110.9390	0.000	1	109.6195	1.167	32	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(OYb)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(OYb){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	109.1585	0.484	2	109.1585	0.235	2	109.6195	1.167	32	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(OAl)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	C[5](N[5]C[5]C)2(OAl){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	111.0515	0.473	2	111.0515	0.224	2	111.0515	0.224	2	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:P-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PC)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PC){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	111.0840	0.000	1	111.0840	0.000	1	111.1285	0.004	2	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:P-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PC[6a])	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PC[6a]){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	111.1730	0.000	1	111.1730	0.000	1	111.1285	0.004	2	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:Se-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeCu)	N[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3)	C[5](N[5]C[5]C)2(SeCu){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3){1|C<4>,2|H<1>}	112.3590	0.000	1	112.3590	0.000	1	112.3590	0.000	1	109.4681	1.430	58	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	5:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	B-5:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SMn)	N[5](BN[5]MnHH)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SMn){2|H<1>}	N[5](BN[5]MnHH)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<5>,1|H<1>}	108.2830	0.321	2	108.2830	0.103	2	108.1562	0.583	39	108.1562	0.583	39	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	5:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	B-5:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SMn)	N[5](BN[5]MnHH)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SMn){2|H<1>}	N[5](BN[5]MnHH)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<5>,1|H<1>}	108.0600	0.227	4	108.0600	0.052	4	108.1562	0.583	39	108.1562	0.583	39	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	5:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	B-5:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SOs)	N[5](BN[5]OsHH)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SOs){2|H<1>}	N[5](BN[5]OsHH)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<5>,1|H<1>}	108.3695	0.254	2	108.3695	0.064	2	108.1562	0.583	39	108.1562	0.583	39	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	5:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	B-5:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SRe)	N[5](BN[5]ReHH)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SRe){2|H<1>}	N[5](BN[5]ReHH)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<5>,1|H<1>}	108.6900	0.222	2	108.6900	0.049	2	108.1562	0.583	39	108.1562	0.583	39	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	5:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	B-5:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SRu)	N[5](BN[5]RuHH)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SRu){2|H<1>}	N[5](BN[5]RuHH)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<5>,1|H<1>}	108.0310	0.339	8	108.0310	0.115	8	108.1562	0.583	39	108.1562	0.583	39	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	5:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	B-5:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SU)	N[5](BC[6a]N[5]HU)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SU){2|H<1>}	N[5](BC[6a]N[5]HU)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<5>,1|H<1>}	108.1319	1.072	17	108.1319	1.149	17	108.1562	0.583	39	108.1562	0.583	39	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:2:	5:3:3:	3:3:4:	N[5]-3:N[5]-3:S-2:	B-5:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(SZr)	N[5](BN[5]ZrHH)(C[5]C[5]H)(C[5]N[5]S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SZr){2|H<1>}	N[5](BN[5]ZrHH)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<5>,1|H<1>}	108.1687	0.759	4	108.1687	0.576	4	108.1562	0.583	39	108.1562	0.583	39	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:2:1:	3:2:1:	N[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:N[5]-2:H-1:	C[5](N[5]N[5]H)2(NHH)	N[5](C[5]N[5]N)(N[5]N[5])(H)	N[5](C[5]N[5]N)(N[5]N[5])(H)	C[5](N[5]N[5]H)2(NHH)	N[5](C[5]N[5]N)(N[5]N[5])(H){1|H<1>}	N[5](C[5]N[5]N)(N[5]N[5])(H){1|H<1>}	104.3487	0.860	4	104.3487	0.740	4	104.3487	0.740	4	104.3487	0.740	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:2:1:	3:3:1:	N[5]-3:N[5]-3:C-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(CNN)	N[5](C[5]N[5]C)(N[5]C[5])(H)	N[5](C[5]N[5]C)2(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(CNN){1|C<3>}	N[5](C[5]N[5]C)(N[5]C[5])(H){1|C<3>,1|H<1>}	N[5](C[5]N[5]C)2(H){1|H<1>}	104.5770	0.128	4	104.5770	0.016	4	104.5770	0.016	4	105.9672	0.572	26	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:2:1:	3:3:1:	N[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(NHH)	N[5](C[5]N[5]N)(N[5]C[5])(H)	N[5](C[5]N[5]C)(C[5]N[5]N)(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(NHH){1|C<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	N[5](C[5]N[5]C)(C[5]N[5]N)(H){1|H<1>}	105.9545	0.397	11	105.9656	0.146	14	106.2200	0.244	22	105.9672	0.572	26	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:2:1:	3:3:1:	N[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(NHH)	N[5](C[5]N[5]N)(N[5]C[5])(H)	N[5](C[5]N[5]C)(C[5]N[5]N)(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(NHH){1|C<4>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<4>,1|H<1>}	N[5](C[5]N[5]C)(C[5]N[5]N)(H){1|H<1>}	106.0067	0.398	3	105.9656	0.146	14	106.2200	0.244	22	105.9672	0.572	26	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:2:1:	3:3:1:	N[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(NHH)	N[5](C[5]N[5]N)(N[5]C[5])(H)	N[5](C[5]N[5]N)2(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(NHH){1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|H<1>,1|N<3>}	N[5](C[5]N[5]N)2(H){1|H<1>}	106.6650	0.323	8	106.6650	0.104	8	106.2200	0.244	22	105.9672	0.572	26	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:2:1:	3:3:2:	N[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH)	N[5](C[5]N[5]N)(N[5]C[5])(H)	N[5](C[5]N[5]H)(C[5]N[5]N)(NN)	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH){1|H<1>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|H<1>,1|N<2>}	N[5](C[5]N[5]H)(C[5]N[5]N)(NN){1|H<1>}	104.6785	0.374	2	104.6785	0.140	2	104.6785	0.140	2	104.6785	0.140	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:2:1:	3:3:3:	N[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(NCH)	N[5](C[5]N[5]N)(N[5]C[5])(H)	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH)	C[5](N[5]C[5]N)(N[5]N[5]H)(NCH){1|H<1>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|H<1>,1|N<3>}	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH){1|H<1>}	105.1510	0.000	1	105.1510	0.000	1	105.9523	0.378	29	105.9523	0.378	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:2:1:	3:3:3:	N[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH)	N[5](C[5]N[5]N)(N[5]C[5])(H)	N[5](C[5]N[5]C)(C[5]N[5]N)(NHH)	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH){1|C<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<3>}	N[5](C[5]N[5]C)(C[5]N[5]N)(NHH){1|H<1>}	105.7644	0.279	12	105.7644	0.078	12	105.9523	0.378	29	105.9523	0.378	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:2:1:	3:3:3:	N[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH)	N[5](C[5]N[5]N)(N[5]C[5])(H)	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH)	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH){1|H<1>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|H<1>,1|N<3>}	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH){1|H<1>}	105.5670	0.508	6	105.5670	0.258	6	105.9523	0.378	29	105.9523	0.378	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:2:1:	3:3:3:	N[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH)	N[5](C[5]N[5]N)(N[5]C[5])(H)	N[5](C[5]N[5]N)2(NHH)	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH){1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){2|N<3>}	N[5](C[5]N[5]N)2(NHH){1|H<1>}	105.8540	0.159	3	105.8540	0.025	3	105.9523	0.378	29	105.9523	0.378	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:2:1:	3:3:3:	N[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(NHN)	N[5](C[5]N[5]N)(N[5]C[5])(H)	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH)	C[5](N[5]C[5]N)(N[5]N[5]H)(NHN){1|H<1>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|H<1>,1|N<3>}	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH){1|H<1>}	106.7613	0.551	7	106.7613	0.304	7	105.9523	0.378	29	105.9523	0.378	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:2:3:	3:2:1:	N[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-2:N-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]N[5]H)(N[5]N[5]N)(NHH)	N[5](C[5]N[5]N)(N[5]N[5])(NHH)	N[5](C[5]N[5]N)(N[5]N[5])(H)	C[5](N[5]N[5]H)(N[5]N[5]N)(NHH)	N[5](C[5]N[5]N)(N[5]N[5])(NHH){1|H<1>}	N[5](C[5]N[5]N)(N[5]N[5])(H){1|N<3>}	104.1070	0.286	6	104.1070	0.082	6	104.1070	0.082	6	104.1070	0.082	6	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:2:3:	3:3:1:	N[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]C)(NCH)	N[5](C[5]N[5]N)(N[5]C[5])(CNS)	N[5](C[5]N[5]N)2(H)	C[5](N[5]C[5]H)(N[5]N[5]C)(NCH){1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(CNS){1|H<1>,1|N<3>}	N[5](C[5]N[5]N)2(H){1|C<3>}	106.2220	0.297	2	106.2220	0.088	2	106.2220	0.088	2	106.2220	0.088	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:2:4:	3:2:1:	N[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:H-1:	C[5](N[5]N[5]C)(N[5]N[5]H)(NHH)	N[5](C[5]N[5]N)(N[5]N[5])(CH3)	N[5](C[5]N[5]N)(N[5]N[5])(H)	C[5](N[5]N[5]C)(N[5]N[5]H)(NHH)	N[5](C[5]N[5]N)(N[5]N[5])(CH3){1|H<1>}	N[5](C[5]N[5]N)(N[5]N[5])(H){1|C<4>}	104.7800	0.000	1	104.7800	0.000	1	104.7800	0.000	1	104.7800	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:2:4:	3:2:3:	N[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:N-3:	C[5](N[5]N[5]C)(N[5]N[5]N)(NHH)	N[5](C[5]N[5]N)(N[5]N[5])(CH3)	N[5](C[5]N[5]N)(N[5]N[5])(NHH)	C[5](N[5]N[5]C)(N[5]N[5]N)(NHH)	N[5](C[5]N[5]N)(N[5]N[5])(CH3){1|N<3>}	N[5](C[5]N[5]N)(N[5]N[5])(NHH){1|C<4>}	104.1880	0.694	5	104.1880	0.481	5	104.1880	0.481	5	104.1880	0.481	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	C[5](N[5]N[5]C)2(NHH)	N[5](C[5]N[5]N)(N[5]N[5])(CH3)	N[5](C[5]N[5]N)(N[5]N[5])(CH3)	C[5](N[5]N[5]C)2(NHH)	N[5](C[5]N[5]N)(N[5]N[5])(CH3){1|C<4>}	N[5](C[5]N[5]N)(N[5]N[5])(CH3){1|C<4>}	104.3900	0.000	1	104.3900	0.000	1	104.3900	0.000	1	104.3900	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:2:1:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(CNN)	N[5](C[5]C[5a]N[5])(C[5]N[5]C)(H)	N[5](C[5]N[5]C)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(CNN){1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]N[5]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[5](C[5]N[5]C)(N[5]C[5])(H){1|C<3>,1|H<1>}	104.6370	0.000	1	104.6370	0.000	1	104.6370	0.000	1	106.3130	0.404	25	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:2:1:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(NHH)	N[5](C[5]N[5]H)(C[5]N[5]N)(H)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(NHH){1|H<1>}	N[5](C[5]N[5]H)(C[5]N[5]N)(H){1|H<1>}	N[5](C[5]N[5]N)(N[5]C[5])(H){2|H<1>}	106.3829	0.543	24	106.3829	0.295	24	106.3829	0.295	24	106.3130	0.404	25	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]S[5])(N[5]C[5]H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]S[5])(N[5]C[5]H)2{1|C<3>,1|S<2>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|C<3>,1|S<2>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|C<3>,1|S<2>,2|H<1>}	107.9180	0.441	3	107.9180	0.194	3	108.3737	0.636	18	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]2)(N[5]C[5]H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]N[5]2)(N[5]C[5]H)2{1|Cd<6>,2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){2|H<1>,2|N<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){2|H<1>,2|N<3>}	107.1820	0.000	1	108.4649	0.691	15	108.3737	0.636	18	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]2)(N[5]C[5]H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]N[5]2)(N[5]C[5]H)2{2|C<3>,4|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){2|H<1>,2|N<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){2|H<1>,2|N<3>}	108.5565	0.780	14	108.4649	0.691	15	108.3737	0.636	18	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)2{1|H<1>,1|S<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<2>,2|H<1>,3|C<3>}	109.1393	0.320	3	109.2532	0.120	4	109.3058	0.104	5	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)2{1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<2>,2|H<1>,3|C<3>}	109.5950	0.000	1	109.2532	0.120	4	109.3058	0.104	5	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]H)2{1|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H){1|H<1>,1|O<2>,4|C<3>}	109.5160	0.000	1	109.5160	0.000	1	109.3058	0.104	5	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]N[5a]2)(N[5]C[5]H)2	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]N[5a]2)(N[5]C[5]H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<2>,1|N<3>,2|H<1>}	108.6758	0.797	14	108.6758	0.635	14	108.6758	0.635	14	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]C[5,6a]H)2{2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|N<3>,2|H<1>,3|C<3>}	109.0620	0.000	1	109.0620	0.000	1	109.0620	0.000	1	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]H)2{1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|N<2>,2|H<1>,3|C<3>}	107.7960	1.341	2	107.7960	1.797	2	107.7960	1.797	2	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	107.8376	1.748	12	107.8376	3.056	12	107.1531	1.934	26	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]2)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]2)(H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	106.8730	0.000	1	106.8730	0.000	1	107.1531	1.934	26	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	107.1780	0.000	1	106.5428	0.349	13	107.1531	1.934	26	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	106.4899	0.584	12	106.5428	0.349	13	107.1531	1.934	26	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5](N[5]C[5,6a]H)2(CCH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	108.5910	0.000	1	108.5910	0.000	1	108.9840	0.100	4	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(COO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5](N[5]C[5,6a]H)2(COO){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	109.1150	0.217	3	109.1150	0.047	3	108.9840	0.100	4	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CCH)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CCH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){2|H<1>}	106.8545	0.368	2	106.8545	0.136	2	106.9650	0.104	3	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CHN){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){2|H<1>}	107.1860	0.000	1	107.1860	0.000	1	106.9650	0.104	3	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5,6a]H)2(C[5]N[5]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){2|C<3>,2|H<1>,2|N<3>}	109.8460	0.000	1	109.8460	0.000	1	109.8460	0.000	1	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(C[5a]N[5a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5](N[5]C[5,6a]H)2(C[5a]N[5a]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	109.9220	0.000	1	109.9220	0.000	1	109.9220	0.000	1	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5](N[5]C[5,6a]H)2(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){2|H<1>,4|C<3>}	109.0408	1.561	4	109.7710	4.022	9	109.7710	4.022	9	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5](N[5]C[5,6a]H)2(C[6]C[6]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){2|H<1>,4|C<3>}	110.3552	2.293	5	109.7710	4.022	9	109.7710	4.022	9	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	111.8150	0.000	1	111.8150	0.000	1	108.9874	1.820	21	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	109.2830	0.000	1	108.8872	1.729	17	108.9874	1.820	21	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	107.6675	0.388	2	108.8872	1.729	17	108.9874	1.820	21	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|S<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	110.0655	0.177	2	108.8872	1.729	17	108.9874	1.820	21	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|S<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	109.4820	0.000	1	108.8872	1.729	17	108.9874	1.820	21	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	109.5130	2.138	3	108.8872	1.729	17	108.9874	1.820	21	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	109.3820	0.000	1	108.8872	1.729	17	108.9874	1.820	21	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	109.7850	0.000	1	108.8872	1.729	17	108.9874	1.820	21	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	108.1910	1.178	6	108.8872	1.729	17	108.9874	1.820	21	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	108.2940	0.000	1	108.2940	0.000	1	108.9874	1.820	21	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	108.7715	0.016	2	108.7715	0.000	2	108.9874	1.820	21	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){1|Cl<1>,1|F<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	107.8950	0.000	1	107.7480	0.306	6	107.7480	0.306	6	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){2|Cl<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	107.9425	0.233	2	107.7480	0.306	6	107.7480	0.306	6	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){2|F<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	108.0100	0.346	2	107.7480	0.306	6	107.7480	0.306	6	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	106.6880	0.000	1	107.7480	0.306	6	107.7480	0.306	6	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:N-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5](N[5]C[5,6a]H)2(NCH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	109.5614	0.846	13	109.5614	0.717	13	109.2213	0.382	39	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:N-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(NCN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5](N[5]C[5,6a]H)2(NCN){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	109.0697	0.684	4	109.0697	0.468	4	109.2213	0.382	39	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:N-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(NHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5](N[5]C[5,6a]H)2(NHH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	109.0479	0.327	22	109.0479	0.107	22	109.2213	0.382	39	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(NHH)	N[5](C[5]C[5]H)(C[5]N[5]N)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](N[5]C[5]H)2(NHH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(H){2|H<1>}	107.4493	0.289	7	107.4493	0.083	7	107.4493	0.083	7	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(NHH)	N[5](C[5]N[5]N)(N[5]C[5]H)(H)	N[5](C[5]N[5]N)2(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(NHH){1|H<1>,1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	N[5](C[5]N[5]N)2(H){2|H<1>}	107.6505	0.053	2	107.6505	0.003	2	107.6505	0.003	2	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:N-3:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]N[5]H)(NHH)	N[5](N[5]C[5]Co)(C[5]N[5]N)(H)	N[5](C[5]N[5]N)2(H)	C[5](N[5]C[5]H)(N[5]N[5]H)(NHH){1|Co<6>,1|N<3>}	N[5](N[5]C[5]Co)(C[5]N[5]N)(H){1|H<1>,1|N<3>}	N[5](C[5]N[5]N)2(H){1|Co<6>,1|H<1>}	107.4220	0.000	1	107.4220	0.000	1	107.4220	0.000	1	108.5226	1.717	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|N<2>,2|H<1>,3|C<3>}	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	109.2718	4.807	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	110.7930	0.000	1	110.7930	0.000	1	110.7930	0.000	1	109.2718	4.807	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){2|C<3>,2|H<1>}	108.1810	0.000	1	108.1810	0.000	1	108.1810	0.000	1	109.2718	4.807	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(CCN)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(CCN){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|H<1>}	106.4790	0.000	1	106.4790	0.000	1	107.2890	1.312	2	109.2718	4.807	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|H<1>}	108.0990	0.000	1	108.0990	0.000	1	107.2890	1.312	2	109.2718	4.807	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){2|H<1>,4|C<3>}	109.2820	0.000	1	109.2820	0.000	1	109.2820	0.000	1	109.2718	4.807	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){2|H<1>,4|C<3>}	109.2610	0.000	1	109.2610	0.000	1	109.3617	0.247	3	109.2718	4.807	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){2|H<1>,4|C<3>}	109.9010	0.000	1	109.4120	0.478	2	109.3617	0.247	3	109.2718	4.807	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){2|H<1>,4|C<3>}	108.9230	0.000	1	109.4120	0.478	2	109.3617	0.247	3	109.2718	4.807	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(NOO)	N[5](C[5]C[5]H)(C[5]N[5]N)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(NOO){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){2|H<1>}	114.6350	0.000	1	114.6350	0.000	1	114.6350	0.000	1	109.2718	4.807	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:S-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(SRu2)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(SRu2){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	106.8240	0.000	1	106.8240	0.000	1	106.8240	0.000	1	109.2718	4.807	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:2:	3:2:1:	N[5]-3:C[6a]-3:N[5]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O)	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5])	N[5](C[5]C[6a]N[5])(O[5]N[5])(O)	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[6a]N[5])(O[5]N[5])(O){3|C<3>}	103.5710	0.000	1	103.5710	0.000	1	103.5710	0.000	1	105.3005	1.351	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:2:	3:2:1:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:N-2:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH)	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NN)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH){1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NN){1|C<3>,1|H<1>,1|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<2>}	106.0820	0.000	1	106.0820	0.000	1	105.8770	0.032	3	105.3005	1.351	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:2:	3:2:1:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:N-2:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH)	N[5](C[5]C[6a]N[5])(C[5]N[5]N)(NN)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]N)(NN){1|C<3>,1|H<1>,1|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<2>}	105.7745	0.023	2	105.7745	0.001	2	105.8770	0.032	3	105.3005	1.351	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:N[5]-3:N-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(N[5]C[5]H)(NHH)	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5])	N[5](C[5]N[5]N)2(H)	C[5](N[5]C[6a]N[5])(N[5]C[5]H)(NHH){1|N<3>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]){1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]N[5]N)2(H){1|C<3>}	106.3530	0.426	2	106.3530	0.181	2	106.3530	0.181	2	106.3530	0.181	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CSS)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5])	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CSS){1|N<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]N){2|H<1>,3|C<3>}	106.0050	0.000	1	106.0050	0.000	1	106.0050	0.000	1	105.7690	0.327	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5])	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]){1|H<1>,2|C<4>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,5|C<3>}	106.1850	0.000	1	106.1850	0.000	1	106.1850	0.000	1	105.7690	0.327	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:N[5]-3:N-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5a]N[5])(N[5]C[5]N)(NHH)	N[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]C[5])	N[5](C[5]N[5]N)2(NHH)	C[5](N[5]C[5a]N[5])(N[5]C[5]N)(NHH){1|N<3>,2|N<2>}	N[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]C[5]){1|N<2>,3|N<3>}	N[5](C[5]N[5]N)2(NHH){1|C<3>}	105.1170	0.000	1	105.1170	0.000	1	105.1170	0.000	1	105.7690	0.327	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]N[5])(N[5]C[5]C)(NHH)	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5])	N[5](C[5]N[5]N)2(CC[6a]HH)	C[5](N[5]C[6a]N[5])(N[5]C[5]C)(NHH){1|N<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]N[5]N)2(CC[6a]HH){1|C<3>}	106.3750	0.000	1	106.3750	0.000	1	106.3750	0.000	1	106.3750	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(N[5]N[5]H)	N[5](C[5]C[5a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[5]C[5a]N[5])(N[5]C[5])(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(N[5]N[5]H){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5]C[5a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[5a]N[5])(N[5]C[5])(H){1|N<3>,3|C<3>}	106.6060	0.000	1	106.6060	0.000	1	106.6060	0.000	1	106.0612	0.061	25	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH)	N[5](C[5]C[5]N[5])(C[5]N[5]N)(NHH)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH){1|C<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]N)(NHH){1|H<1>,1|N<2>,1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<3>}	106.0811	0.213	19	106.0811	0.045	19	106.0385	0.050	24	106.0612	0.061	25	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH)	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NHH)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH){1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<3>}	105.6450	0.000	1	105.8768	0.043	5	106.0385	0.050	24	106.0612	0.061	25	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH)	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NHH)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH){1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<3>}	105.9500	0.000	1	105.8768	0.043	5	106.0385	0.050	24	106.0612	0.061	25	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH)	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NHH)	N[5](C[5]N[5]N)(N[5]C[5])(H)	C[5](N[5]C[5]N)(N[5]N[5]H)(NHH){1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NHH){1|H<1>,1|N<2>,1|N<3>}	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<3>}	105.9297	0.228	3	105.8768	0.043	5	106.0385	0.050	24	106.0612	0.061	25	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]C[5])(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]C[5])(N[5]C[5]H){8|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){6|C<3>}	106.4290	0.000	1	106.4290	0.000	1	106.4290	0.000	1	107.9098	4.622	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H){1|H<1>,1|O<2>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){6|C<3>}	106.3150	0.000	1	106.3150	0.000	1	106.3150	0.000	1	107.9098	4.622	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]H)(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]H)(CCC){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|H<1>,3|C<3>}	107.0700	0.000	1	107.0700	0.000	1	107.0700	0.000	1	107.9098	4.622	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(CCO)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(CCO){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){2|C<3>,4|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>,1|H<1>}	111.5080	0.000	1	111.5080	0.000	1	111.5080	0.000	1	107.9098	4.622	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:N[5]-3:N-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(NCH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(NCH){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){2|C<3>,4|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(H){1|C<3>,1|H<1>}	108.2270	0.000	1	108.2270	0.000	1	108.2270	0.000	1	107.9098	4.622	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:2:	N[5]-3:N[5]-3:C[6]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6]N[6]2)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6]N[6]2){2|N<2>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,2|N<2>,4|C<3>}	105.9890	0.000	1	105.9890	0.000	1	105.9890	0.000	1	105.9890	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[4]-3:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[4]Ge[4]Si[4])(N[5]C[6a]C[5])2	N[5](C[5]N[4]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]N[4]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[4]Ge[4]Si[4])(N[5]C[6a]C[5])2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]N[4]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Ge<2>,1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	N[5](C[5]N[4]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Ge<2>,1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	106.2490	0.000	1	106.2490	0.000	1	106.2490	0.000	1	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:As-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(AsClP)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]B)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(AsClP){1|B<4>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H){1|B<4>,2|C<4>,3|C<3>}	106.1420	0.000	1	106.1420	0.000	1	106.1420	0.000	1	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BBH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BBH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	102.9442	0.176	4	102.9442	0.031	4	104.3289	1.678	15	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BBN)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BBN){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	105.1100	0.000	1	105.1100	0.000	1	104.3289	1.678	15	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BC[5]Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BC[5]Cl){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	103.0530	0.451	2	103.0530	0.204	2	104.3289	1.678	15	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BClN)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BClN){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	105.8210	0.000	1	105.8210	0.000	1	104.3289	1.678	15	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BCrN)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BCrN){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	104.4690	0.000	1	104.4690	0.000	1	104.3289	1.678	15	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BFeN)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BFeN){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	104.6240	0.544	2	104.6240	0.296	2	104.3289	1.678	15	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BNW)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BNW){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	104.6200	0.000	1	104.6200	0.000	1	104.3289	1.678	15	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BOO)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BOO){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	106.3710	0.133	2	106.3710	0.018	2	104.3289	1.678	15	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BRuN)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BRuN){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	105.0400	0.000	1	105.0400	0.000	1	104.3289	1.678	15	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B[6]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(B[6]C[6,6a]2)	N[5](C[5]B[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]B[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(B[6]C[6,6a]2){2|H<1>,8|C<3>}	N[5](C[5]B[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	N[5](C[5]B[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	104.2250	0.257	2	104.2250	0.066	2	104.2250	0.066	2	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CCC)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CCC){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	106.5700	0.000	1	106.5700	0.000	1	105.2748	2.298	60	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CCH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CCH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	104.1220	0.000	2	104.1220	0.000	2	105.2748	2.298	60	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CC[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CC[5]C){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	105.2700	0.000	2	105.2700	0.000	2	105.2748	2.298	60	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CC[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CC[5]H){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	103.5090	0.000	1	103.5090	0.000	1	105.2748	2.298	60	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CC[5]O)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CC[5]O){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	107.5920	0.000	1	107.5920	0.000	1	105.2748	2.298	60	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CC[6a]As)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CC[6a]As){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	104.3367	1.175	8	104.3367	1.380	8	105.2748	2.298	60	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CC[6a]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CC[6a]C){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	105.3325	0.187	2	105.3325	0.035	2	105.2748	2.298	60	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CC[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CC[6a]H){2|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){3|C<3>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){3|C<3>,3|C<4>}	103.5145	0.531	2	103.5145	0.282	2	105.2748	2.298	60	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CC[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CC[6a]P){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	104.6985	1.763	6	104.6985	3.107	6	105.2748	2.298	60	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CHN)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CHN){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	106.1214	1.150	7	106.1214	1.322	7	105.2748	2.298	60	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CHP)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CHP){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	104.2340	0.286	10	104.2340	0.082	10	105.2748	2.298	60	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CNS)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CNS){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	107.8655	0.646	2	107.8655	0.417	2	105.2748	2.298	60	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(COO)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(COO){2|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){3|C<3>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){3|C<3>,3|C<4>}	107.2230	0.000	1	107.2230	0.000	1	105.2748	2.298	60	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(COO)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(COO){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	107.9570	0.000	1	107.9570	0.000	1	105.2748	2.298	60	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(COP)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(COP){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	107.2310	0.228	2	107.2310	0.052	2	105.2748	2.298	60	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CSS)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CSS){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	106.3551	1.368	8	106.3551	1.871	8	105.2748	2.298	60	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CSiH)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CSiH){2|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){3|C<3>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){3|C<3>,3|C<4>}	104.6055	0.309	2	104.6055	0.095	2	105.2748	2.298	60	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CSiH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CSiH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	104.6100	0.000	1	104.6100	0.000	1	105.2748	2.298	60	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CSi[3,4,4]H)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CSi[3,4,4]H){2|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){1|C<4>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){1|C<4>,5|C<3>}	104.2280	0.000	1	104.2280	0.000	1	105.2748	2.298	60	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[5]C[5]2)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(C[5]C[5]2){2|Cl<1>,2|H<1>,6|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	105.9893	0.249	3	105.9893	0.062	3	106.0465	0.054	4	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[5]O[5]P[5])	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(C[5]O[5]P[5]){1|P<2>,2|H<1>,5|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|O<2>,1|P<2>,2|C<4>,3|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|O<2>,1|P<2>,2|C<4>,3|C<3>}	106.2180	0.000	1	106.2180	0.000	1	106.0465	0.054	4	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6]C[6]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(C[6]C[6]2){4|H<1>,6|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	104.1730	0.000	1	104.1730	0.000	1	105.9780	2.444	3	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6]N[6]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(C[6]N[6]2){2|H<1>,2|N<2>,4|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<2>,3|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<2>,3|C<3>}	106.8805	0.005	2	106.8805	0.000	2	105.9780	2.444	3	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5](N[5]C[5,5]C[6a])2(C[6a]C[6a]2)	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](N[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,2|P<2>,6|C<3>}	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|P<2>,1|P<3>,2|C<4>,5|C<3>}	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|P<2>,1|P<3>,2|C<4>,5|C<3>}	108.1877	0.355	3	108.1567	0.088	4	108.1567	0.088	4	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5](N[5]C[5,5]C[6a])2(C[6a]C[6a]2)	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](N[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,2|P<2>,6|C<3>}	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){2|C<4>,2|P<2>,5|C<3>}	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){2|C<4>,2|P<2>,5|C<3>}	108.0640	0.000	1	108.1567	0.088	4	108.1567	0.088	4	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](N[5]C[5,6]C[6a])2(C[6a]C[6a]2)	N[5](C[5,6]C[5,6]Ge[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[5,6]C[5,6]Ge[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](N[5]C[5,6]C[6a])2(C[6a]C[6a]2){2|Ge<2>,2|H<1>,6|C<3>}	N[5](C[5,6]C[5,6]Ge[6])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ge<2>,2|C<4>,6|C<3>}	N[5](C[5,6]C[5,6]Ge[6])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ge<2>,2|C<4>,6|C<3>}	106.5130	1.541	2	106.5130	2.376	2	106.5130	2.376	2	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](N[5]C[5,6a]C[6a])2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](N[5]C[5,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	109.2037	0.245	3	109.2037	0.060	3	109.2037	0.060	3	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]B[6,6]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	N[5](C[5]B[6,6]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,4|C<4>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|B<4>,2|C<4>,7|C<3>}	105.6640	0.000	1	105.6640	0.000	1	105.9200	0.131	2	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[5]B[5]C[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]N[5])(C[5]B[5]C[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|O<2>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|B<4>,2|C<4>,7|C<3>}	106.1760	0.000	1	106.1760	0.000	1	105.9200	0.131	2	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Al)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Al<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Al<4>,2|C<4>,7|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Al){2|C<4>,6|C<3>}	106.3890	0.000	1	106.3890	0.000	1	106.8147	0.223	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Fe)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Fe<5>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Fe<5>,2|C<4>,7|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Fe){2|C<4>,6|C<3>}	106.8630	0.000	1	106.8630	0.000	1	106.8147	0.223	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,6|C<3>}	107.1750	0.289	3	107.1750	0.083	3	106.8147	0.223	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Ni)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Ni<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ni<4>,2|C<4>,7|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Ni){2|C<4>,6|C<3>}	106.5240	0.000	1	106.5240	0.000	1	106.8147	0.223	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Pd)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Pd<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pd<4>,2|C<4>,7|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Pd){2|C<4>,6|C<3>}	106.7070	0.674	4	106.7070	0.454	4	106.8147	0.223	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Zn)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Zn<3>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Zn<3>,2|C<4>,7|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Zn){2|C<4>,6|C<3>}	106.8330	0.000	1	106.8330	0.000	1	106.8147	0.223	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	107.1893	0.330	4	107.1893	0.109	4	106.8090	0.161	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|N<2>,2|C<4>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N){1|H<1>,2|C<4>,5|C<3>}	106.5900	0.461	2	106.5900	0.213	2	106.8090	0.161	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Ni)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Ni<4>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Ni<4>,2|C<4>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Ni){1|H<1>,2|C<4>,5|C<3>}	106.4150	0.000	1	106.4150	0.000	1	106.8090	0.161	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Pd)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Pd<4>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Pd<4>,2|C<4>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Pd){1|H<1>,2|C<4>,5|C<3>}	106.6368	0.204	4	106.6368	0.041	4	106.8090	0.161	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Ga-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(GaCl2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(GaCl2){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	105.3460	0.000	1	105.3460	0.000	1	105.3460	0.000	1	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Ge-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(GeCl2)	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]Ge)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(GeCl2){1|Si<5>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]Ge){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|Si<5>,2|C<4>,3|C<3>}	104.8040	0.000	1	104.8040	0.000	1	104.8312	0.002	4	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Ge-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(GeCl2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(GeCl2){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	104.7910	0.000	1	104.7910	0.000	1	104.8312	0.002	4	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Ge-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(GeClW)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(GeClW){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	104.8650	0.008	2	104.8650	0.000	2	104.8312	0.002	4	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:In-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(InCC)	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(InCC){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	104.1540	0.000	1	104.1540	0.000	1	104.1540	0.000	1	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NAl2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NAl2){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	103.8963	0.744	6	103.8963	0.554	6	104.7473	2.951	17	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NAlH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NAlH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	105.4220	0.000	1	105.4220	0.000	1	104.7473	2.951	17	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NC[6a]Pd)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NC[6a]Pd){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	103.2270	0.000	1	103.2270	0.000	1	104.7473	2.951	17	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NHH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NHH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	107.9870	0.000	1	107.9870	0.000	1	104.7473	2.951	17	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NNi2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NNi2){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	103.2065	0.028	2	103.2065	0.001	2	104.7473	2.951	17	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NRuC)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NRuC){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	104.9680	0.000	1	104.9680	0.000	1	104.7473	2.951	17	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NSnN)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NSnN){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	108.9010	0.000	1	108.9010	0.000	1	104.7473	2.951	17	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NZn2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NZn2){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	103.3550	0.000	1	103.3550	0.000	1	104.7473	2.951	17	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:N-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NZrC)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])2(NZrC){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	105.6843	0.326	3	105.6843	0.106	3	104.7473	2.951	17	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PBrP)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PBrP){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	106.5370	0.000	1	106.5370	0.000	1	106.1864	0.666	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PCC)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PCC){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	105.8670	0.000	1	105.8670	0.000	1	106.1864	0.666	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PCH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PCH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	105.4810	0.000	1	105.4810	0.000	1	106.1864	0.666	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PC[6a]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PC[6a]2){2|Cl<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P){1|Cl<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P){1|Cl<1>,2|C<4>,3|C<3>}	107.0340	0.000	1	107.0340	0.000	1	106.1864	0.666	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PC[6a]Ru)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PC[6a]Ru){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	104.7870	0.000	1	104.7870	0.000	1	106.1864	0.666	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PCl2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PCl2){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	107.1670	0.000	1	107.1670	0.000	1	106.1864	0.666	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PClP)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PClP){1|B<4>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|B<4>,2|C<4>,3|C<3>}	105.9320	0.000	1	105.9320	0.000	1	106.1864	0.666	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PFeH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PFeH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	105.5170	0.000	1	105.5170	0.000	1	106.1864	0.666	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PHI)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PHI){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	107.0355	0.250	2	107.0355	0.062	2	106.1864	0.666	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PNN)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PNN){2|Cl<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P){1|Cl<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P){1|Cl<1>,2|C<4>,3|C<3>}	105.6570	0.000	1	105.6570	0.000	1	106.1864	0.666	11	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P[3]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(P[3]B[3]P[3])	N[5](C[5]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(P[3]B[3]P[3]){4|H<1>,5|C<3>}	N[5](C[5]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]H){1|B<4>,1|H<1>,1|P<3>,2|C<4>,3|C<3>}	N[5](C[5]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]H){1|B<4>,1|H<1>,1|P<3>,2|C<4>,3|C<3>}	105.5620	0.697	2	105.5620	0.486	2	105.5620	0.486	2	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P[6]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(P[6]C[6]P[6])	N[5](C[5]N[5]P[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]N[5]P[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(P[6]C[6]P[6]){1|C<4>,4|H<1>,6|C<3>}	N[5](C[5]N[5]P[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|P<3>,3|C<3>,3|C<4>}	N[5](C[5]N[5]P[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|P<3>,3|C<3>,3|C<4>}	106.1690	0.000	1	106.1690	0.000	1	105.9680	0.081	2	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P[6]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(P[6]N[6]2)	N[5](C[5]N[5]P[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]N[5]P[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(P[6]N[6]2){2|H<1>,2|P<4>,4|C<3>}	N[5](C[5]N[5]P[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<2>,3|C<3>}	N[5](C[5]N[5]P[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<2>,3|C<3>}	105.7670	0.000	1	105.7670	0.000	1	105.9680	0.081	2	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Se-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(SeAg2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(SeAg2){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	106.5350	0.000	1	106.5350	0.000	1	106.5350	0.000	1	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Si-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(SiNN)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(SiNN){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	105.6310	0.000	1	105.6310	0.000	1	105.6310	0.000	1	105.6110	2.423	159	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:B[6,6]-3:N[5]-3:	C[5]-3:B[6,6]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]B[6,6]C[5])(B[6,6]C[6,6]2)(N[5]C[5]C)	N[5](C[5]B[6,6]N[5])(B[6,6]C[6,6]2)(C[5]C[5]H)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]B[6,6]C[5])(B[6,6]C[6,6]2)(N[5]C[5]C){4|H<1>,6|C<4>}	N[5](C[5]B[6,6]N[5])(B[6,6]C[6,6]2)(C[5]C[5]H){3|H<1>,7|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|B<3>,1|H<1>,2|C<4>}	105.8520	1.295	2	105.8520	1.678	2	105.8520	1.678	2	106.4699	0.851	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]S)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|S<1>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|S<1>,5|C<3>}	107.2170	0.143	2	107.2170	0.020	2	107.2170	0.020	2	106.4699	0.851	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CNN)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CNN){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<3>,1|H<1>}	106.8080	0.000	1	106.8080	0.000	1	107.3585	0.220	4	106.4699	0.851	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(COO)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(COO){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<3>,1|H<1>}	107.4775	0.482	2	107.4775	0.232	2	107.3585	0.220	4	106.4699	0.851	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(COO)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(COO){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<3>,1|H<1>}	107.6710	0.000	1	107.6710	0.000	1	107.3585	0.220	4	106.4699	0.851	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NC[6a]Co)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NC[6a]Co){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){1|C<3>,1|H<1>}	105.5305	0.576	2	105.5305	0.332	2	105.8783	0.529	3	106.4699	0.851	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NCoH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NCoH){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){1|C<3>,1|H<1>}	106.5740	0.000	1	106.5740	0.000	1	105.8783	0.529	3	106.4699	0.851	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:P-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[6a]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[6a]2){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<3>,1|H<1>}	105.6345	0.180	2	105.6345	0.033	2	105.7903	0.089	3	106.4699	0.851	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:P-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[5]C[5]H)(C[5]N[5]P)(CN[5]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[6a]P){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CN[5]HH){1|C<3>,1|H<1>}	106.1020	0.000	1	106.1020	0.000	1	105.7903	0.089	3	106.4699	0.851	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]N[5a]2)(N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CC[6a]HH)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]N[5a]2)(N[5]C[5]C)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CC[6a]HH){1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	108.6830	0.680	2	108.6830	0.463	2	108.6830	0.463	2	109.1245	0.967	6	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(CCO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CCO){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	110.9830	0.000	1	110.9830	0.000	1	110.9830	0.000	1	109.1245	0.967	6	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	109.1670	0.000	1	108.7993	0.105	3	108.7993	0.105	3	109.1245	0.967	6	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	108.6155	0.090	2	108.7993	0.105	3	108.7993	0.105	3	109.1245	0.967	6	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N-2:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]N)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(NC)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]N){2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(NC){1|C<4>,1|H<1>,2|C<3>}	107.5200	0.266	2	107.5200	0.071	2	107.5200	0.071	2	107.5200	0.071	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	B-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](BC[3x3,4,3x5,14x6]N)(N[5]C[5]C)2	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C[5](BC[3x3,4,3x5,14x6]N)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	106.1870	0.000	1	106.1870	0.000	1	104.9810	1.369	3	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	B-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](BC[6a]C[5])(N[5]C[5]C)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	C[5](BC[6a]C[5])(N[5]C[5]C)2{2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	104.9050	0.000	1	104.9050	0.000	1	104.9810	1.369	3	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	B-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](BC[6a]C[5])(N[5]C[5]C)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](BC[6a]C[5])(N[5]C[5]C)2{2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	103.8510	0.000	1	103.8510	0.000	1	104.9810	1.369	3	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	B[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[5]C[5,5]B[5])(N[5]C[5]C)2	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CH3)	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CH3)	C[5](B[5]C[5,5]B[5])(N[5]C[5]C)2{1|N<3>,5|C<4>}	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,2|C<4>}	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,2|C<4>}	103.8830	0.000	1	103.8830	0.000	1	105.7100	2.504	3	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	B[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[5]C[5x3,6x5,20x6]N[5])(N[5]C[5]C)2	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH)	C[5](B[5]C[5x3,6x5,20x6]N[5])(N[5]C[5]C)2{1|C<6>,2|C<3>,2|C<4>,4|B<6>}	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<4>}	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<4>}	106.6235	0.030	2	106.6235	0.001	2	105.7100	2.504	3	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	B[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[5a]O[5a]2)(N[5]C[5]C)2	N[5](C[5]B[5a]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]B[5a]N[5])(C[5]C[5]C)(CCCH)	C[5](B[5a]O[5a]2)(N[5]C[5]C)2{2|C<3>,2|C<4>}	N[5](C[5]B[5a]N[5])(C[5]C[5]C)(CCCH){2|C<4>,2|O<2>}	N[5](C[5]B[5a]N[5])(C[5]C[5]C)(CCCH){2|C<4>,2|O<2>}	106.8520	0.000	1	106.8520	0.000	1	107.3420	0.854	3	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	B[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[5a]O[5a]2)(N[5]C[5]C)2	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CC3)	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CC3)	C[5](B[5a]O[5a]2)(N[5]C[5]C)2{2|C<3>,2|H<1>}	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|O<2>}	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|O<2>}	108.4080	0.000	1	108.4080	0.000	1	107.3420	0.854	3	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	B[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[5a]O[5a]2)(N[5]C[5]C)2	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CCCH)	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CCCH)	C[5](B[5a]O[5a]2)(N[5]C[5]C)2{2|C<3>,2|H<1>}	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,2|O<2>}	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,2|O<2>}	106.7660	0.000	1	106.7660	0.000	1	107.3420	0.854	3	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	B[6,6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[6,6]C[6,6]2)(N[5]C[5]C)2	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	C[5](B[6,6]C[6,6]2)(N[5]C[5]C)2{2|Cl<1>,2|H<1>,4|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,3|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,3|C<4>}	106.1020	0.000	1	106.1020	0.000	1	106.1020	0.000	1	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	B[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[6]C[6,6a]N[5,6])(N[5]C[5]C)2	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH)	C[5](B[6]C[6,6a]N[5,6])(N[5]C[5]C)2{1|N<2>,2|C<3>,3|C<4>}	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH){1|C<3>,1|N<3>,2|C<4>}	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH){1|C<3>,1|N<3>,2|C<4>}	107.0360	0.000	1	107.4020	0.268	2	107.4020	0.268	2	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	B[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[6]C[6,6a]N[5,6])(N[5]C[5]C)2	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH)	C[5](B[6]C[6,6a]N[5,6])(N[5]C[5]C)2{1|N<3>,2|C<3>,3|C<4>}	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH){1|C<3>,1|N<3>,2|C<4>}	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH){1|C<3>,1|N<3>,2|C<4>}	107.7680	0.000	1	107.4020	0.268	2	107.4020	0.268	2	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]N[5])(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]N[5])(N[5]C[5]C)2{7|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH){1|N<3>,3|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH){1|N<3>,3|C<4>}	108.4200	0.839	2	108.4200	0.703	2	108.1128	0.732	19	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]N[5])(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]N[5])(N[5]C[5]C)2{7|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|N<3>,3|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|N<3>,3|C<4>}	107.3790	1.092	2	107.3790	1.192	2	108.1128	0.732	19	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]2)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]2)(N[5]C[5]C)2{1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>,2|N<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>,2|N<3>}	108.4560	0.000	1	108.4560	0.000	1	108.1128	0.732	19	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]2)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>,2|N<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|N<3>}	107.8191	0.370	10	107.8191	0.137	10	108.1128	0.732	19	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]2)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]2)(N[5]C[5]C)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|N<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|N<3>}	110.0640	0.264	2	110.0640	0.070	2	108.1128	0.732	19	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]2)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]2)(N[5]C[5]C)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|N<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|N<3>}	107.8855	0.121	2	107.8855	0.015	2	108.1128	0.732	19	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[6]C[6]2)(N[5]C[5]C)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3)	C[5](C[6]C[6]2)(N[5]C[5]C)2{1|B<4>,1|C<4>,4|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3){1|C<2>,1|H<1>,2|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3){1|C<2>,1|H<1>,2|C<4>}	107.0510	0.229	2	107.0510	0.052	2	107.5722	0.323	5	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[6]C[6]N[6])(N[5]C[5]C)2	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CH3)	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CH3)	C[5](C[6]C[6]N[6])(N[5]C[5]C)2{1|H<1>,5|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	107.5500	0.000	1	107.5500	0.000	1	107.5722	0.323	5	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[6]C[6]N[6])(N[5]C[5]C)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](C[6]C[6]N[6])(N[5]C[5]C)2{1|Pd<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	108.3590	0.000	1	108.3590	0.000	1	107.5722	0.323	5	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[6]N[6]2)(N[5]C[5]C)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]CH)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]CH)	C[5](C[6]N[6]2)(N[5]C[5]C)2{2|H<1>,2|N<2>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>,2|N<2>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>,2|N<2>}	107.8500	0.000	1	107.8500	0.000	1	107.5722	0.323	5	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)2{1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	109.4150	0.000	1	109.4150	0.000	1	109.4150	0.000	1	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:B-4:	C[5](C[6a]C[6a]2)(N[5]C[5]B)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(BC[6a]3)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(BC[6a]3)	C[5](C[6a]C[6a]2)(N[5]C[5]B)2{2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(BC[6a]3){1|B<4>,1|H<1>,2|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(BC[6a]3){1|B<4>,1|H<1>,2|C<3>}	110.3668	0.458	5	110.3668	0.210	5	110.3668	0.210	5	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<4>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|C<4>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|C<4>,5|C<3>}	107.3150	0.000	1	107.3150	0.000	1	107.6736	0.538	19	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	N[5](C[5]C[6a]N[5])(C[5]C[5]Pd)(CCCH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{1|Pd<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|Pd<4>,1|C<4>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]Pd)(CCCH){1|C<4>,3|C<3>}	107.3167	0.131	3	107.3167	0.017	3	107.6736	0.538	19	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(CC3)	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(CC3)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,2|C<4>,2|F<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(CC3){2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(CC3){2|C<3>,2|C<4>}	109.4800	0.000	1	109.4800	0.000	1	107.6736	0.538	19	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCCH)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCCH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	108.2510	0.787	4	108.2510	0.620	4	107.6736	0.538	19	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CPdCH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{1|Pd<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CPdCH){1|C<4>,1|H<1>,2|C<3>}	107.4960	0.000	1	107.5689	0.192	7	107.6736	0.538	19	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CPdCH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CPdCH){1|C<4>,1|H<1>,2|C<3>}	107.5810	0.479	6	107.5689	0.192	7	107.6736	0.538	19	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	106.9020	0.000	1	106.9020	0.000	1	107.6736	0.538	19	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]Rh)(CN[5]HH)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCHH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{1|Rh<6>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]Rh)(CN[5]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCHH){1|Rh<6>,1|C<4>,2|C<3>}	107.0830	0.395	2	107.0830	0.156	2	107.6736	0.538	19	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	Ge-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](GeB[5a]Cl)(N[5]C[5]C)2	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C[5](GeB[5a]Cl)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	105.4670	0.000	1	105.4670	0.000	1	105.2190	0.123	2	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	Ge-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](GeB[5a]Ge)(N[5]C[5]C)2	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C[5](GeB[5a]Ge)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	104.9710	0.000	1	104.9710	0.000	1	105.2190	0.123	2	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	Ge[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Ge[5]Ge[5]2)(N[5]C[5]C)2	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3)	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3)	C[5](Ge[5]Ge[5]2)(N[5]C[5]C)2{6|Si<4>,2|C<4>}	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3){2|Ge<4>,2|C<4>}	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3){2|Ge<4>,2|C<4>}	104.0160	0.000	1	104.0160	0.000	1	103.9935	0.001	2	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	Ge[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Ge[5]Si[5]2)(N[5]C[5]C)2	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3)	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3)	C[5](Ge[5]Si[5]2)(N[5]C[5]C)2{6|Si<4>,2|C<4>}	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3){2|Si<4>,2|C<4>}	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3){2|Si<4>,2|C<4>}	103.9710	0.000	1	103.9710	0.000	1	103.9935	0.001	2	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	Ge[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Ge[6a]N[6a]2)(N[5]C[5]C)2	N[5](C[5]Ge[6a]N[5])(C[5]C[5]C)(CH3)	N[5](C[5]Ge[6a]N[5])(C[5]C[5]C)(CH3)	C[5](Ge[6a]N[6a]2)(N[5]C[5]C)2{2|C<4>,4|C<3>}	N[5](C[5]Ge[6a]N[5])(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	N[5](C[5]Ge[6a]N[5])(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	104.3150	0.000	1	104.3150	0.000	1	104.3150	0.000	1	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:As-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(AsFeC)	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(AsFeC){2|C<4>}	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3){2|C<4>}	105.5150	0.000	1	105.5150	0.000	1	105.5150	0.000	1	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(BC[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH)	C[5](N[5]C[5,6a]C)2(BC[5]H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>,2|C<3>}	105.9590	0.000	1	105.9590	0.000	1	105.9590	0.000	1	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BCS)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BCS){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	105.8500	0.000	1	105.8500	0.000	1	105.4266	1.815	16	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BC[5]B)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BC[5]B){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	103.8972	0.374	5	103.8972	0.140	5	105.4266	1.815	16	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BC[5]C)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C[5](N[5]C[5]C)2(BC[5]C){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	106.1205	0.250	2	106.1205	0.062	2	105.4266	1.815	16	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BC[5]Cl)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BC[5]Cl){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	104.8460	0.000	1	104.8460	0.000	1	105.4266	1.815	16	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BC[5]H)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BC[5]H){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	104.3740	0.000	1	104.3740	0.000	1	105.4266	1.815	16	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BC[5a]2)	N[5](C[5]C[5]C)(C[5]N[5]B)(CC3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CC3)	C[5](N[5]C[5]C)2(BC[5a]2){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CC3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CC3){2|C<4>}	107.6260	0.000	1	107.6260	0.000	1	105.4266	1.815	16	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BC[6a]N)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C[5](N[5]C[5]C)2(BC[6a]N){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	106.5730	0.000	1	106.5730	0.000	1	105.4266	1.815	16	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BCl2)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BCl2){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	106.1600	0.000	1	106.1600	0.000	1	105.4266	1.815	16	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BCl2)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3)	C[5](N[5]C[5]C)2(BCl2){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3){1|C<4>,1|H<1>}	107.5220	0.000	1	107.5220	0.000	1	105.4266	1.815	16	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BCl2)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	C[5](N[5]C[5]C)2(BCl2){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	106.5240	0.000	1	106.5240	0.000	1	105.4266	1.815	16	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BSeC)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BSeC){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	105.6230	0.000	1	105.6230	0.000	1	105.4266	1.815	16	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(CB[6,6]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C[5](N[5]C[5,6a]C)2(CB[6,6]C[5]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	106.5480	0.000	1	106.5480	0.000	1	107.5004	1.664	27	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6a]C)2(CCH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.9140	0.354	2	107.9140	0.125	2	107.5004	1.664	27	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(CC[5]Be)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6a]C)2(CC[5]Be){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	106.3230	0.330	3	106.3230	0.109	3	107.5004	1.664	27	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(CC[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6a]C)2(CC[5]C){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.6970	0.110	2	107.6970	0.012	2	107.5004	1.664	27	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(CC[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6a]C)2(CC[5]H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.5810	0.091	2	107.5810	0.008	2	107.5004	1.664	27	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(CC[5]Ni)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6a]C)2(CC[5]Ni){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	105.5415	0.323	2	105.5415	0.104	2	107.5004	1.664	27	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(CC[5]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6a]C)2(CC[5]P){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.6765	0.415	4	107.6765	0.172	4	107.5004	1.664	27	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(CC[5]Pd)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6a]C)2(CC[5]Pd){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	106.2045	0.499	2	106.2045	0.249	2	107.5004	1.664	27	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(CC[5]Rh)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6a]C)2(CC[5]Rh){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	106.0930	1.049	2	106.0930	1.101	2	107.5004	1.664	27	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(CNS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5](N[5]C[5,6a]C)2(CNS){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	109.7450	0.000	1	109.7450	0.000	1	107.5004	1.664	27	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(CNS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6a]C)2(CNS){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.9490	0.000	1	108.9490	0.000	1	107.5004	1.664	27	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(CNS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6a]C)2(CNS){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.0160	0.000	1	109.0160	0.000	1	107.5004	1.664	27	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(CSS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5](N[5]C[5,6a]C)2(CSS){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	109.1292	0.303	4	109.1292	0.092	4	107.5004	1.664	27	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CCC)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CCC){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	107.8400	0.000	1	107.8400	0.000	1	107.5708	1.608	26	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CCC)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	C[5](N[5]C[5]C)2(CCC){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<4>,1|H<1>}	107.3875	1.607	2	107.3875	2.583	2	107.5708	1.608	26	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CCC)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C[5](N[5]C[5]C)2(CCC){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	107.3150	0.000	1	107.3150	0.000	1	107.5708	1.608	26	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CCO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CCO){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	106.9120	0.000	1	106.9120	0.000	1	107.5708	1.608	26	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CC[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	C[5](N[5]C[5]C)2(CC[5]C){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<4>,1|H<1>}	107.8190	0.047	2	107.8190	0.002	2	107.5708	1.608	26	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CC[5]H)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CC[5]H){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	104.1310	0.000	1	104.1310	0.000	1	107.5708	1.608	26	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CC[6a]C)	N[5](C[5]C[5]C)(C[5]N[5]C)(CC3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CC3)	C[5](N[5]C[5]C)2(CC[6a]C){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CC3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CC3){2|C<4>}	108.6550	0.000	1	108.6550	0.000	1	107.5708	1.608	26	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CC[6a]O)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CC[6a]O){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	107.2660	0.000	1	107.2660	0.000	1	107.5708	1.608	26	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CNS)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CNS){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	107.4715	0.083	2	107.4715	0.007	2	107.5708	1.608	26	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(COO)	N[5](C[5]C[5]C)(C[5]N[5]C)(CC3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CC3)	C[5](N[5]C[5]C)2(COO){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CC3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CC3){2|C<4>}	109.5010	0.763	4	109.5010	0.583	4	107.5708	1.608	26	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(COO)	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]C)2(COO){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){2|C<4>}	107.4860	0.000	1	107.4860	0.000	1	107.5708	1.608	26	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(COO)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(COO){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	105.3160	0.000	1	105.3160	0.000	1	107.5708	1.608	26	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(COO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	C[5](N[5]C[5]C)2(COO){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<4>,1|H<1>}	107.8900	0.000	1	107.8900	0.000	1	107.5708	1.608	26	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(COO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(COO){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	106.6870	0.000	1	106.6870	0.000	1	107.5708	1.608	26	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(COO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(COO){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	107.2320	0.000	2	107.2320	0.000	2	107.5708	1.608	26	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CSS)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C[5](N[5]C[5]C)2(CSS){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	106.9670	0.000	1	106.9670	0.000	1	107.5708	1.608	26	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CSS)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]C)2(CSS){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	107.6140	0.000	1	107.6140	0.000	1	107.5708	1.608	26	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CSS)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C[5](N[5]C[5]C)2(CSS){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	107.4685	0.692	2	107.4685	0.479	2	107.5708	1.608	26	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C[4]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](N[5]C[6a]C[5])2(C[4]P[4]2)	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])2(C[4]P[4]2){1|C<2>,5|C<3>,5|H<1>}	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,2|P<3>,3|C<3>}	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,2|P<3>,3|C<3>}	106.3010	0.000	1	106.3010	0.000	1	106.3010	0.000	1	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	106.7810	0.000	1	106.7810	0.000	1	107.0337	0.069	3	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	107.1600	0.205	2	107.1600	0.042	2	107.0337	0.069	3	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[5]-3:B-4:	C[5](N[5]C[5,6a]B)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(BC[6a]3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(BC[6a]3)	C[5](N[5]C[5,6a]B)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(BC[6a]3){1|B<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(BC[6a]3){1|B<4>,1|H<1>,4|C<3>}	112.2190	0.232	2	112.2190	0.054	2	112.2190	0.054	2	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2){2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	108.9440	0.000	1	108.9440	0.000	1	109.0310	0.112	4	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	109.2925	0.026	2	109.0600	0.163	3	109.0310	0.112	4	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	108.5950	0.000	1	109.0600	0.163	3	109.0310	0.112	4	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){6|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	109.8287	2.897	3	109.9975	5.708	4	109.9975	5.708	4	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){6|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|F<1>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|F<1>,2|H<1>,5|C<3>}	110.5040	0.000	1	109.9975	5.708	4	109.9975	5.708	4	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ge-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GeBr2)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(GeBr2){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	105.1360	0.000	1	105.1360	0.000	1	105.2574	0.511	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ge-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GeCW)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(GeCW){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	104.2510	0.000	1	104.2510	0.000	1	105.2574	0.511	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ge-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GeC[6a]2)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(GeC[6a]2){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	104.2470	0.000	1	104.2470	0.000	1	105.2574	0.511	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ge-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GeCl2)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(GeCl2){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	106.1500	0.000	1	106.1500	0.000	1	105.2574	0.511	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ge-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GeCl2)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(GeCl2){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	105.3953	0.439	3	105.3953	0.192	3	105.2574	0.511	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ge-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GeClW)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(GeClW){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	104.7430	0.000	1	104.7430	0.000	1	105.2574	0.511	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ge-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GeFeGe)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(GeFeGe){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	106.0580	0.000	1	106.0580	0.000	1	105.2574	0.511	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ge-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GeII)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(GeII){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	106.3820	0.000	1	106.3820	0.000	1	105.2574	0.511	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ge-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GeII)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(GeII){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	105.5675	0.521	2	105.5675	0.272	2	105.2574	0.511	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ge-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GeMoC)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(GeMoC){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	104.6200	0.000	1	104.6200	0.000	1	105.2574	0.511	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ge-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GeSi2)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(GeSi2){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	104.6960	0.000	1	104.6960	0.000	1	105.2574	0.511	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NCC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NCC){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	108.1100	0.308	2	108.1100	0.095	2	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NCC)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C[5](N[5]C[5]C)2(NCC){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	107.3203	0.741	3	107.3203	0.549	3	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3){2|C<4>}	107.9320	0.000	1	107.9320	0.000	1	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NCH)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C[5](N[5]C[5]C)2(NCH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	107.0650	0.000	1	107.0650	0.000	1	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[5]H)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NC[5]H){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	108.4750	0.000	1	108.4750	0.000	1	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[5]Ni)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NC[5]Ni){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	107.2990	0.339	4	107.2990	0.115	4	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[5]Pd)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NC[5]Pd){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	107.5373	0.325	13	107.5373	0.106	13	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[6a]Al)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NC[6a]Al){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	108.1510	0.000	1	108.1510	0.000	1	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NCrSi)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NCrSi){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	106.5160	0.237	3	106.5160	0.056	3	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NCrSi)	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NCrSi){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3){2|C<4>}	106.2650	0.000	1	106.2650	0.000	1	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NCuC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NCuC){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	106.4985	0.746	2	106.4985	0.557	2	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NCuC)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C[5](N[5]C[5]C)2(NCuC){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	106.4072	0.490	5	106.4072	0.240	5	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NMoC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NMoC){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	106.2390	0.366	2	106.2390	0.134	2	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NMoC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NMoC){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3){2|C<4>}	105.9703	0.581	6	105.9703	0.337	6	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NNi2)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NNi2){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>}	103.9100	0.000	1	103.9100	0.000	1	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NPdC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NPdC){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	107.1558	0.564	5	107.1558	0.318	5	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NPdC)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C[5](N[5]C[5]C)2(NPdC){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	106.3820	0.908	2	106.3820	0.824	2	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NPtC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NPtC){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	107.3720	0.000	1	107.3720	0.000	1	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NRuC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NRuC){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	106.8985	0.556	2	106.8985	0.310	2	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NRuC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NRuC){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3){2|C<4>}	106.1865	0.452	2	106.1865	0.204	2	106.9332	0.751	58	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]Ga[5])(N[5]C[5]C)2	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	C[5](N[5]C[5,6a]Ga[5])(N[5]C[5]C)2{1|Fe<5>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|Ga<3>,1|C<3>,2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|Ga<3>,1|C<3>,2|C<4>}	108.4210	0.000	1	107.9990	0.356	2	107.6970	0.452	3	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]Ga[5])(N[5]C[5]C)2	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	C[5](N[5]C[5,6a]Ga[5])(N[5]C[5]C)2{1|N<3>,2|C<3>,2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|Ga<2>,1|C<3>,2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|Ga<2>,1|C<3>,2|C<4>}	107.5770	0.000	1	107.9990	0.356	2	107.6970	0.452	3	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]In[5])(N[5]C[5]C)2	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	C[5](N[5]C[5,6a]In[5])(N[5]C[5]C)2{1|N<3>,2|C<3>,2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|In<2>,1|C<3>,2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|In<2>,1|C<3>,2|C<4>}	107.0930	0.000	1	107.0930	0.000	1	107.6970	0.452	3	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:O-3:	C[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]B)(N[5]C[5]C)(OLi2)	N[5](C[5]C[5]H)(C[5]N[5]O)(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3)	C[5](N[5]C[5]B)(N[5]C[5]C)(OLi2){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]O)(BN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3){1|B<4>,1|H<1>}	108.3885	0.173	4	108.3885	0.030	4	108.3885	0.030	4	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PC[5]Cl)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PC[5]Cl){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	106.7150	0.190	2	106.7150	0.036	2	106.5266	0.900	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PC[6a]2)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PC[6a]2){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	106.0160	0.000	1	106.0160	0.000	1	106.5266	0.900	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PC[6a]2)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]I)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PC[6a]2){1|H<1>,1|I<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|I<1>}	N[5](C[5]C[5]I)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	106.1830	0.000	1	106.1830	0.000	1	106.5266	0.900	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PC[6a]C)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PC[6a]C){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	106.1450	0.000	1	106.1450	0.000	1	106.5266	0.900	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PC[6a]P)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PC[6a]P){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	104.8680	0.000	1	104.8680	0.000	1	106.5266	0.900	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PClP)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	C[5](N[5]C[5]C)2(PClP){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	107.7780	0.209	2	107.7780	0.044	2	106.5266	0.900	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PFeC)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PFeC){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	104.4770	0.000	1	104.4770	0.000	1	106.5266	0.900	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PHH)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH)	C[5](N[5]C[5]C)2(PHH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>}	107.1610	0.000	1	107.1610	0.000	1	106.5266	0.900	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PSS)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PSS){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	106.8842	0.088	4	106.8842	0.008	4	106.5266	0.900	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P[3]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(P[3]P[3]2)	N[5](C[5]N[5]P[3])(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]P[3])(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(P[3]P[3]2){2|C<3>,2|C<4>}	N[5](C[5]N[5]P[3])(C[5]C[5]C)(CCCH){2|C<4>,2|P<3>}	N[5](C[5]N[5]P[3])(C[5]C[5]C)(CCCH){2|C<4>,2|P<3>}	107.5503	0.328	3	107.5503	0.107	3	107.5503	0.107	3	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P[4]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](N[5]C[6a]C[5])2(P[4]Ga[4]2)	N[5](C[5]N[5]P[4])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](C[5]N[5]P[4])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])2(P[4]Ga[4]2){1|P<3>,4|C<3>,4|C<4>,4|H<1>}	N[5](C[5]N[5]P[4])(C[6a]C[6a]2)(C[5]C[5]HH){2|Ga<4>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]N[5]P[4])(C[6a]C[6a]2)(C[5]C[5]HH){2|Ga<4>,2|C<4>,2|H<1>,3|C<3>}	106.4975	0.211	2	106.4975	0.045	2	106.4975	0.045	2	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SCu2)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]C)2(SCu2){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	105.4860	0.000	1	105.4860	0.000	1	106.0815	0.709	2	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:S-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SPd2)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]C)2(SPd2){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	106.6770	0.000	1	106.6770	0.000	1	106.0815	0.709	2	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeCu2)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(SeCu2){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.6140	0.000	1	106.6140	0.000	1	106.0950	0.286	3	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Se-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SeCu2)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(SeCu2){2|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	105.8355	0.409	2	105.8355	0.168	2	106.0950	0.286	3	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiCP)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(SiCP){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	106.5995	0.364	2	106.5995	0.133	2	104.6447	0.923	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiC[5]Si)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(SiC[5]Si){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	104.0717	0.055	3	104.0717	0.003	3	104.6447	0.923	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiC[6a]H)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(SiC[6a]H){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	104.6190	0.000	1	104.6190	0.000	1	104.6447	0.923	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiC[6a]P)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(SiC[6a]P){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	104.7060	0.000	1	104.7060	0.000	1	104.6447	0.923	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiClN)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(SiClN){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	105.0440	0.000	1	105.0440	0.000	1	104.6447	0.923	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiNP)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(SiNP){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	105.0030	0.000	1	105.0030	0.000	1	104.6447	0.923	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiSi2)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(SiSi2){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	104.7320	0.000	1	104.7320	0.000	1	104.6447	0.923	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiSi2)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(SiSi2){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	103.9323	0.519	3	103.9323	0.270	3	104.6447	0.923	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiSiH)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(SiSiH){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	103.7110	0.000	1	103.7110	0.000	1	104.6447	0.923	14	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	Si-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](SiC[6a]C[5])(N[5]C[5]C)2	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C[5](SiC[6a]C[5])(N[5]C[5]C)2{2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	104.6950	0.542	2	104.6950	0.293	2	104.6950	0.293	2	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	Si[3]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Si[3]C[3]P[3])(N[5]C[5]C)2	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	C[5](Si[3]C[3]P[3])(N[5]C[5]C)2{2|Si<3>,3|C<4>}	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){1|P<3>,3|C<4>}	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){1|P<3>,3|C<4>}	105.5430	0.000	1	105.5430	0.000	1	105.5430	0.000	1	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	Si[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Si[5]C[5x3,6x5,20x6]N[5])(N[5]C[5]C)2	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	C[5](Si[5]C[5x3,6x5,20x6]N[5])(N[5]C[5]C)2{1|C<3>,1|C<6>,3|C<4>,4|B<6>}	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<4>}	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<4>}	105.0420	0.000	1	105.0420	0.000	1	105.0420	0.000	1	106.9752	2.605	272	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:4:1:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H){2|H<1>,3|C<3>}	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:4:4:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:	C[5](N[5]C[6a]C[5])(C[6]N[6]2)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CC[6a]CH)	C[5](N[5]C[6a]C[5])(C[6]N[6]2)(N[5]C[5]C){2|C<3>,2|N<2>,4|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<3>,2|H<1>,2|N<2>,3|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CC[6a]CH){1|C<3>,2|H<1>,2|N<2>}	112.8740	0.000	1	112.8740	0.000	1	112.8740	0.000	1	111.9663	0.652	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:4:4:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|S<2>,4|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]HH){2|H<1>,3|C<3>}	111.3290	0.000	1	111.5125	0.067	2	111.5125	0.067	2	111.9663	0.652	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:4:4:	N[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|S<3>,4|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<3>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]HH){2|H<1>,3|C<3>}	111.6960	0.000	1	111.5125	0.067	2	111.5125	0.067	2	111.9663	0.652	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:O-1:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(O){1|O<1>,2|C<3>,2|C<4>}	108.4750	0.000	1	108.4750	0.000	1	108.4750	0.000	1	108.4750	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5]N[5]2)(N[5]C[5]H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	C[5](C[5]N[5]2)(N[5]C[5]H)2{2|C<4>,5|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|N<2>,1|N<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|N<2>,1|N<3>,3|H<1>}	113.4860	0.000	1	114.1972	0.284	4	114.1972	0.284	4	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5]N[5]2)(N[5]C[5]H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	C[5](C[5]N[5]2)(N[5]C[5]H)2{2|C<4>,6|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){2|N<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){2|N<3>,3|H<1>}	114.4343	0.298	3	114.1972	0.284	4	114.1972	0.284	4	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]2)(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]2)(N[5]C[5]O)2{2|C<3>,6|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<4>,2|N<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<4>,2|N<3>}	110.0534	0.388	10	110.0534	0.150	10	110.0534	0.150	10	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5a]C[5a]S[5a])(N[5]C[5]H)2	N[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H)	C[5](C[5a]C[5a]S[5a])(N[5]C[5]H)2{2|C<3>,5|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H){1|C<3>,1|S<2>,3|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H){1|C<3>,1|S<2>,3|H<1>}	111.9175	0.450	2	111.9175	0.203	2	111.9175	0.203	2	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]O)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	107.7400	0.000	1	107.7400	0.000	1	109.1851	0.512	27	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5a]C[5a]2)(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5](C[5a]C[5a]2)(N[5]C[5]O)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	107.5360	0.000	1	108.8193	0.547	6	109.1851	0.512	27	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5a]C[5a]2)(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5](C[5a]C[5a]2)(N[5]C[5]O)2{1|C<3>,1|S<2>,2|H<1>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	108.5710	0.000	1	108.8193	0.547	6	109.1851	0.512	27	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5a]C[5a]2)(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5](C[5a]C[5a]2)(N[5]C[5]O)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	109.2022	0.383	4	108.8193	0.547	6	109.1851	0.512	27	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2{1|C<3>,1|H<1>,1|N<3>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	108.6850	0.000	1	108.8176	0.026	5	109.1851	0.512	27	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	108.8508	0.165	4	108.8176	0.026	5	109.1851	0.512	27	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5a]C[5a]S[5a])(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5](C[5a]C[5a]S[5a])(N[5]C[5]O)2{1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|O<1>,1|S<2>,2|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|O<1>,1|S<2>,2|C<4>}	109.6717	0.556	6	109.6717	0.309	6	109.1851	0.512	27	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5a]N[5a]2)(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5](C[5a]N[5a]2)(N[5]C[5]O)2{1|C<3>,1|N<3>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<4>,2|N<2>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<4>,2|N<2>}	108.3795	0.009	2	109.4692	0.402	9	109.1851	0.512	27	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5a]N[5a]2)(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5](C[5a]N[5a]2)(N[5]C[5]O)2{1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|N<2>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|N<2>,1|N<3>,1|O<1>,2|C<4>}	109.7806	0.163	7	109.4692	0.402	9	109.1851	0.512	27	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[6]C[6]2)(N[5]C[5]H)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	C[5](C[6]C[6]2)(N[5]C[5]H)2{1|O<1>,2|C<3>,5|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	111.4620	0.013	2	110.8376	1.207	5	110.8376	1.207	5	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[6]C[6]2)(N[5]C[5]H)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	C[5](C[6]C[6]2)(N[5]C[5]H)2{2|C<3>,6|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	111.1845	0.183	2	110.8376	1.207	5	110.8376	1.207	5	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[6]C[6]2)(N[5]C[5]H)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	C[5](C[6]C[6]2)(N[5]C[5]H)2{2|O<1>,2|O<2>,4|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	108.8950	0.000	1	110.8376	1.207	5	110.8376	1.207	5	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6]C[6,6a]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[5](C[6]C[6,6a]N[6])(N[5]C[5]O)2{1|N<2>,1|O<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	110.0965	0.179	2	110.0380	0.026	3	109.2604	1.301	29	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6]C[6,6a]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[5](C[6]C[6,6a]N[6])(N[5]C[5]O)2{1|O<1>,3|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	109.9210	0.000	1	110.0380	0.026	3	109.2604	1.301	29	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6]C[6]2)(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[5](C[6]C[6]2)(N[5]C[5]O)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	109.0915	0.170	2	108.6179	0.960	18	109.2604	1.301	29	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6]C[6]2)(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[5](C[6]C[6]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	108.5587	1.026	16	108.6179	0.960	18	109.2604	1.301	29	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	110.3600	0.110	2	110.4145	0.024	8	109.2604	1.301	29	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	110.6470	0.000	1	110.4145	0.024	8	109.2604	1.301	29	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	110.3860	0.212	3	110.4145	0.024	8	109.2604	1.301	29	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|N<3>,1|O<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	110.3955	0.067	2	110.4145	0.024	8	109.2604	1.301	29	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	111.7861	0.952	12	111.7861	0.906	12	111.7861	0.906	12	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]O)2{1|H<1>,3|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	108.5040	0.178	2	108.5040	0.032	2	108.3872	1.594	96	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|Br<1>,1|C<3>,1|H<1>,1|N<2>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	109.9640	0.000	1	108.2721	1.533	87	108.3872	1.594	96	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|C<3>,1|H<1>,1|N<2>,5|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	108.8520	0.000	1	108.2721	1.533	87	108.3872	1.594	96	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	108.6378	0.306	15	108.2721	1.533	87	108.3872	1.594	96	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	109.3802	0.604	4	108.2721	1.533	87	108.3872	1.594	96	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|H<1>,3|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	109.1940	0.000	1	108.2721	1.533	87	108.3872	1.594	96	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<1>,2|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	108.5400	0.000	1	108.2721	1.533	87	108.3872	1.594	96	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|F<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	110.4180	0.000	1	108.2721	1.533	87	108.3872	1.594	96	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<1>,2|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<1>,2|C<3>}	108.4150	0.000	1	108.2721	1.533	87	108.3872	1.594	96	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	108.0023	1.346	61	108.2721	1.533	87	108.3872	1.594	96	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|H<1>,3|C<3>,3|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	109.0610	0.000	1	108.2721	1.533	87	108.3872	1.594	96	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)2{1|C<3>,1|N<2>,5|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	110.5610	0.000	1	109.8972	0.289	4	108.3872	1.594	96	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)2{1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	109.6760	0.374	3	109.8972	0.289	4	108.3872	1.594	96	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]N[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[6a]N[6a]2)(N[5]C[5]O)2{2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<4>,2|N<2>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<4>,2|N<2>}	109.6327	1.373	3	109.6327	1.886	3	108.3872	1.594	96	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	N[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](N[5a]C[5a]2)(N[5]C[5]O)2	N[5](C[5]N[5a]N[5])(C[5]C[5]CC)(O)	N[5](C[5]N[5a]N[5])(C[5]C[5]CC)(O)	C[5](N[5a]C[5a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]N[5a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]N[5a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	110.1290	0.000	1	110.1290	0.000	1	110.1290	0.000	1	109.1862	2.694	186	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	111.4785	0.353	2	111.4785	0.125	2	111.4873	0.062	3	111.4873	0.062	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H){2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){2|C<3>,3|H<1>}	111.5050	0.000	1	111.5050	0.000	1	111.4873	0.062	3	111.4873	0.062	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]N[5])(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OCo)	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]N[5])(N[5]C[5]O)2{1|Co<6>,1|C<3>,1|H<1>,1|N<3>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OCo){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	108.5170	0.000	1	108.0335	0.468	2	108.9975	1.511	15	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]N[5])(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OCo)	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]N[5])(N[5]C[5]O)2{1|Co<6>,1|C<3>,1|N<3>,5|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OCo){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	107.5500	0.000	1	108.0335	0.468	2	108.9975	1.511	15	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]N[5])(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OMn)	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]N[5])(N[5]C[5]O)2{1|Mn<6>,1|C<3>,1|H<1>,1|N<3>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OMn){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	108.0470	0.194	2	108.0470	0.038	2	108.9975	1.511	15	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]N[5])(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(ONi)	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]N[5])(N[5]C[5]O)2{1|Ni<6>,1|C<3>,1|N<3>,5|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(ONi){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	108.4290	0.000	1	108.4290	0.000	1	108.9975	1.511	15	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]2)(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OEu)	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]2)(N[5]C[5]O)2{1|Eu<13>,1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OEu){1|O<1>,2|C<4>,2|N<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|O<2>,2|C<4>,2|N<3>}	108.8930	1.658	4	108.8930	2.749	4	108.9975	1.511	15	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]2)(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OMn)	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]2)(N[5]C[5]O)2{1|Mn<6>,2|C<3>,5|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OMn){1|O<1>,2|C<4>,2|N<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|O<2>,2|C<4>,2|N<3>}	109.9740	1.259	2	109.9740	1.584	2	108.9975	1.511	15	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]2)(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(ONi)	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]2)(N[5]C[5]O)2{1|O<1>,1|O<2>,6|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(ONi){1|O<1>,2|C<4>,2|N<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|O<2>,2|C<4>,2|N<3>}	110.5525	0.070	2	110.5525	0.005	2	108.9975	1.511	15	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]S[5])(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OMn)	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]S[5])(N[5]C[5]O)2{1|Mn<6>,2|C<3>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OMn){1|N<3>,1|O<1>,1|S<2>,2|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|N<3>,1|O<2>,1|S<2>,2|C<4>}	108.8630	0.000	1	108.8630	0.000	1	108.9975	1.511	15	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]S[5])(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(ONi)	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]S[5])(N[5]C[5]O)2{1|Ni<6>,2|C<3>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(ONi){1|N<3>,1|O<1>,1|S<2>,2|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|N<3>,1|O<2>,1|S<2>,2|C<4>}	108.8840	0.000	1	108.8840	0.000	1	108.9975	1.511	15	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:H-1:	C[5](C[5a]N[5a]2)(N[5]C[5]H)(N[5]C[5]O)	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(OMn)	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(H)	C[5](C[5a]N[5a]2)(N[5]C[5]H)(N[5]C[5]O){1|Mn<6>,2|C<3>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(OMn){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(H){1|N<2>,1|N<3>,1|O<2>,2|C<4>}	110.8300	0.000	1	110.8300	0.000	1	110.8300	0.000	1	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(OCu)	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2{1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(OCu){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	109.3890	0.000	1	109.3890	0.000	1	108.8680	0.543	2	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(ONi)	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2{1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(ONi){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	108.3470	0.000	1	108.3470	0.000	1	108.8680	0.543	2	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[6]C[6]2)(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OMn)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[5](C[6]C[6]2)(N[5]C[5]O)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OMn){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|C<4>}	108.4400	0.000	1	109.0005	0.628	2	108.7278	0.233	5	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[6]C[6]2)(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OMn)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[5](C[6]C[6]2)(N[5]C[5]O)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OMn){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|C<4>}	109.5610	0.000	1	109.0005	0.628	2	108.7278	0.233	5	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OCo)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|Co<6>,1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OCo){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	108.3570	0.000	1	108.3570	0.000	1	108.7278	0.233	5	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OMn)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|Mn<6>,1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OMn){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	108.6080	0.000	1	108.6080	0.000	1	108.7278	0.233	5	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(ONi)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|Ni<6>,1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(ONi){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	108.6730	0.000	1	108.6730	0.000	1	108.7278	0.233	5	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OCr)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OCr){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H){1|O<2>,2|C<3>,2|C<4>}	110.7030	0.000	1	110.7030	0.000	1	110.7030	0.000	1	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(ODy)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(ODy){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|C<4>}	108.5360	0.000	1	108.5360	0.000	1	108.5845	0.168	4	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OGd)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OGd){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|C<4>}	108.8270	0.000	1	108.8270	0.000	1	108.5845	0.168	4	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OMn)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|H<1>,1|P<4>,2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OMn){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|C<4>}	108.9480	0.000	1	108.4875	0.424	2	108.5845	0.168	4	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OMn)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OMn){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|C<4>}	108.0270	0.000	1	108.4875	0.424	2	108.5845	0.168	4	109.0074	1.129	28	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:2:	3:4:2:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-4:O-2:	C[5](C[6]N[6]2)(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OCo)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OCo)	C[5](C[6]N[6]2)(N[5]C[5]O)2{2|Co<6>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OCo){1|O<2>,2|C<4>,2|N<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OCo){1|O<2>,2|C<4>,2|N<3>}	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OCo2)	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O){1|H<1>,1|O<3>,2|C<3>,3|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OCo2){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H){1|O<3>,2|C<3>,2|C<4>}	108.7790	0.000	1	108.7790	0.000	1	108.7790	0.000	1	108.7790	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]Rh)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]Rh){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C){2|C<3>,3|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	106.0295	1.102	2	106.0295	1.215	2	106.0295	1.215	2	106.0295	1.215	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:4:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-3:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OCo2)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O){1|H<1>,1|O<3>,2|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(OCo2){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H){1|O<3>,2|C<3>,2|C<4>}	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(BBH)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BBH){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	107.7510	0.000	1	107.7510	0.000	1	108.6467	1.262	3	109.8370	5.675	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(BBN)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BBN){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	109.9070	0.000	1	109.9070	0.000	1	108.6467	1.262	3	109.8370	5.675	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(BB[5a]B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BB[5a]B){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	108.2820	0.000	1	108.2820	0.000	1	108.6467	1.262	3	109.8370	5.675	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(CCO)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CCO){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	112.6475	1.860	2	112.6475	3.461	2	110.3388	8.900	8	109.8370	5.675	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(CC[3x6]P[4])	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CC[3x6]P[4]){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	106.2240	0.311	2	106.2240	0.097	2	110.3388	8.900	8	109.8370	5.675	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(CC[6a]C)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CC[6a]C){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	108.6440	0.000	1	108.6440	0.000	1	110.3388	8.900	8	109.8370	5.675	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(CNO)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CNO){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	111.2090	0.000	1	111.2090	0.000	1	110.3388	8.900	8	109.8370	5.675	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(COO)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(COO){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	111.9440	0.000	1	111.9440	0.000	1	110.3388	8.900	8	109.8370	5.675	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(COS)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(COS){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	113.1700	0.000	1	113.1700	0.000	1	110.3388	8.900	8	109.8370	5.675	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:P-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(PAlH)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PAlH){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	109.6710	0.000	1	109.6710	0.000	1	109.1130	0.623	2	109.8370	5.675	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:P-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(PGa2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PGa2){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	108.5550	0.000	1	108.5550	0.000	1	109.1130	0.623	2	109.8370	5.675	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:Se-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(SeAg2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	C[5](N[5]C[6a]C[5])2(SeAg2){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	110.8420	0.000	1	110.8420	0.000	1	110.8420	0.000	1	109.8370	5.675	14	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:4:4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-3:	C[5]-3:C[5]-4:C-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)(CC[6a]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{3|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]C){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)(CC[6a]HH){2|H<1>,3|C<3>}	111.9440	0.000	1	111.9440	0.000	1	111.9440	0.000	1	111.9440	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	4:3:4:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:P-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]P)(COO)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	N[5](C[5]C[5]HH)(C[5]N[5]C)(PCCO)	C[5](N[5]C[6a]C[5])(N[5]C[5]P)(COO){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(PCCO){1|C<3>,2|H<1>}	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:4:	3:4:4:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[5]-4:C-4:	C[5](C[5]N[5]2)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]HH)	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5]2)(N[5]C[5]C)2{4|C<4>,4|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|N<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|N<3>}	110.8995	0.416	2	110.8995	0.173	2	110.8995	0.173	2	111.2730	0.687	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:4:	3:4:4:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[5]-4:C-4:	C[5](C[6]C[6]2)(N[5]C[5]C)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3)	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3)	C[5](C[6]C[6]2)(N[5]C[5]C)2{2|O<1>,2|O<2>,4|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	110.8310	0.000	1	110.8310	0.000	1	110.8310	0.000	1	111.2730	0.687	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:4:4:	3:4:4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[5]-4:C-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	112.4620	0.000	1	112.4620	0.000	1	112.4620	0.000	1	111.2730	0.687	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	3:5:3:	3:3:1:	N[5]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:In[5]-5:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]In[5])(C[6a]C[6a]N[6a])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(In[5]N[5,6]O[5]Cl2)(C[5]C[6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5](N[5]C[5,6a]In[5])(C[6a]C[6a]N[6a])(N[5]C[5,6a]H){2|Cl<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(In[5]N[5,6]O[5]Cl2)(C[5]C[6a]N[5]){1|N<2>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|In<5>,1|H<1>,1|N<2>,3|C<3>}	113.2920	0.167	2	113.2920	0.028	2	113.2920	0.028	2	113.2920	0.028	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(NHH)	N[5](C[5]C[5]2H)(C[5]N[5]N)(H)	N[5](C[5]C[5]O)(C[5]N[5]N)(H)	C[5](N[5]C[5]H)2(NHH){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]2H)(C[5]N[5]N)(H){1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]N)(H){1|C<4>,2|H<1>}	110.5310	0.000	1	110.5310	0.000	1	110.5310	0.000	1	110.5310	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5,6]H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6]H)2{2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H){2|C<3>,2|C<4>,4|H<1>}	112.5510	0.997	8	112.5510	0.993	8	112.5510	0.993	8	111.0226	3.839	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{1|P<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H){2|H<1>,5|C<3>}	113.8775	0.117	2	113.8775	0.014	2	113.8775	0.014	2	111.0226	3.839	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:C-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,6]H)2(CNN)	N[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)(H)	N[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)(H)	C[5](N[5]C[5,6]H)2(CNN){2|H<1>,2|O<2>}	N[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)(H){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)(H){1|C<4>,1|O<2>,2|H<1>}	109.2390	0.000	1	109.2390	0.000	1	109.2390	0.000	1	111.0226	3.839	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CCC)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CCC){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){3|H<1>}	109.7675	0.822	2	109.7675	0.676	2	109.5487	1.442	8	111.0226	3.839	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CCS)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CCS){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){3|H<1>}	109.1240	0.000	1	109.1240	0.000	1	109.5487	1.442	8	111.0226	3.839	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CC[5]H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CC[5]H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){3|H<1>}	108.6810	0.823	2	108.6810	0.677	2	109.5487	1.442	8	111.0226	3.839	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CC[6a]N)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CC[6a]N){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){3|H<1>}	112.0720	0.000	1	112.0720	0.000	1	109.5487	1.442	8	111.0226	3.839	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CNN)	N[5](C[5]C[5]HO)(C[5]N[5]C)(H)	N[5](C[5]C[5]HO)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CNN){2|H<1>,2|O<2>}	N[5](C[5]C[5]HO)(C[5]N[5]C)(H){1|O<2>,2|H<1>}	N[5](C[5]C[5]HO)(C[5]N[5]C)(H){1|O<2>,2|H<1>}	109.1485	0.520	2	109.1485	0.270	2	109.5487	1.442	8	111.0226	3.839	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](N[5]C[5]O)2(CCC)	N[5](C[5]C[5]CC)(C[5]N[5]C)(O)	N[5](C[5]C[5]CC)(C[5]N[5]C)(O)	C[5](N[5]C[5]O)2(CCC){4|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]C)(O){1|O<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]C)(O){1|O<1>,2|C<4>}	107.3290	0.344	2	107.3290	0.118	2	107.3290	0.118	2	111.0226	3.839	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:N-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]H)2(NHH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(H)	C[5](N[5]C[5,5]H)2(NHH){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(H){1|C<3>,1|N<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(H){1|C<3>,1|N<3>,3|H<1>}	111.3420	0.000	1	111.3420	0.000	1	111.3420	0.000	1	111.0226	3.839	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:N-3:	C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]H)(N[5]C[5]H)(NHH)	N[5](C[5,5]C[5]3)(C[5]N[5]N)(H)	N[5](C[5]C[5,5]HH)(C[5]N[5]N)(H)	C[5](N[5]C[5,5]H)(N[5]C[5]H)(NHH){2|C<4>,2|H<1>}	N[5](C[5,5]C[5]3)(C[5]N[5]N)(H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5,5]HH)(C[5]N[5]N)(H){1|H<1>,2|C<4>}	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	111.0226	3.839	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:N-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,6]H)2(NC[6a]H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(H)	C[5](N[5]C[5,6]H)2(NC[6a]H){2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(H){2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(H){2|C<4>,4|H<1>}	111.2250	0.000	1	111.2250	0.000	1	111.2250	0.000	1	111.0226	3.839	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(NHO)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	C[5](N[5]C[5]H)2(NHO){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){3|H<1>}	112.8460	0.000	2	112.8460	0.000	2	112.8460	0.000	2	111.0226	3.839	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](N[5]C[5]O)2(NCO)	N[5](C[5]C[5]CC)(C[5]N[5]N)(O)	N[5](C[5]C[5]CC)(C[5]N[5]N)(O)	C[5](N[5]C[5]O)2(NCO){4|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]N)(O){1|O<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]N)(O){1|O<1>,2|C<4>}	110.9350	0.000	1	110.9350	0.000	1	110.9350	0.000	1	111.0226	3.839	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:S-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(SAg2)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	C[5](N[5]C[5]H)2(SAg2){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	110.7550	0.000	1	110.7550	0.000	1	110.8795	0.031	2	111.0226	3.839	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:S-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(SCu2)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	C[5](N[5]C[5]H)2(SCu2){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	111.0040	0.000	1	111.0040	0.000	1	110.8795	0.031	2	111.0226	3.839	29	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:3:	N[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(CCH)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCH)	C[5](N[5]C[5]C)(N[5]C[5]H)(CCH){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCH){3|H<1>}	107.9335	1.334	2	107.9335	1.780	2	107.9335	1.780	2	108.6227	2.315	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:3:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(NHH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	N[5](C[5]C[5]CH)(C[5]N[5]N)(COO)	C[5](N[5]C[5]C)(N[5]C[5]H)(NHH){1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]N)(COO){3|H<1>}	110.0010	0.000	1	110.0010	0.000	1	110.0010	0.000	1	108.6227	2.315	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH){1|H<1>,6|C<3>}	112.0525	0.216	2	112.0525	0.047	2	112.0525	0.047	2	110.5309	1.220	7	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(CCC)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(CCC){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){3|H<1>}	109.6270	0.689	2	109.6270	0.474	2	109.9222	0.197	5	110.5309	1.220	7	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){3|H<1>}	110.0935	0.138	2	110.0935	0.019	2	109.9222	0.197	5	110.5309	1.220	7	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6]HH)	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6]HH){3|H<1>}	110.1700	0.000	1	110.1700	0.000	1	109.9222	0.197	5	110.5309	1.220	7	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:C-3:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[5]C[6])2(CNN)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]C[6])2(CNN){4|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){1|C<2>,2|C<4>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){3|C<4>,5|H<1>}	106.5200	0.000	1	107.5826	0.467	8	107.6308	0.475	10	108.0036	1.956	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:C-3:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[5]C[6])2(CNN)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]C[6])2(CNN){4|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){3|C<4>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){3|C<4>,5|H<1>}	107.7344	0.574	7	107.5826	0.467	8	107.6308	0.475	10	108.0036	1.956	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:C-3:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[5]C[6])2(CSS)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]C[6])2(CSS){4|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){3|C<4>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){3|C<4>,5|H<1>}	107.8235	0.955	2	107.8235	0.913	2	107.6308	0.475	10	108.0036	1.956	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:P-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])2(PC[6a]2)	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]P)	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]P)	C[5](N[5]C[5,5]C[6a])2(PC[6a]2){2|H<1>,2|O<2>,4|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]P){1|B<4>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]P){1|B<4>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	111.7320	0.000	1	111.7320	0.000	1	111.7320	0.000	1	108.0036	1.956	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:3:	4:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CSS)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CSS){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,3|C<4>,4|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH){1|H<1>,2|C<3>}	112.2090	0.000	1	112.2090	0.000	1	112.2090	0.000	1	112.2090	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(NHH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]N)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(NHH){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]N)(H){1|C<4>,2|H<1>}	110.6031	0.289	22	110.6031	0.084	22	110.6031	0.084	22	110.6031	0.084	22	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(CCC)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CCC){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|C<4>,2|H<1>}	109.7400	0.000	1	109.7400	0.000	1	110.2945	1.286	4	110.4864	1.148	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(CCC)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CCC){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|C<4>,2|H<1>}	109.4440	0.000	1	109.4440	0.000	1	110.2945	1.286	4	110.4864	1.148	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(CNN)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CNN){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|C<4>,2|H<1>}	110.9970	1.356	2	110.9970	1.839	2	110.2945	1.286	4	110.4864	1.148	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(NHH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(NHH){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|C<4>,2|H<1>}	111.2540	0.000	1	111.2540	0.000	1	111.2540	0.000	1	110.4864	1.148	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CCC)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH)	C[5](N[5]C[5]C)2(CCC){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH){1|C<4>,2|H<1>}	110.5830	0.000	1	110.5830	0.000	1	111.2730	0.952	2	110.4852	2.013	22	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CSS)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH)	C[5](N[5]C[5]C)2(CSS){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH){1|C<4>,2|H<1>}	111.9630	0.000	1	111.9630	0.000	1	111.2730	0.952	2	110.4852	2.013	22	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(NCH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(CH3)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(CH3)	C[5](N[5]C[5,5]C)2(NCH){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	111.6700	0.000	1	111.6700	0.000	1	111.6700	0.000	1	110.4852	2.013	22	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NCC)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NCC){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	111.2680	0.000	1	111.2680	0.000	1	109.8713	1.975	14	110.4852	2.013	22	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[3]H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NC[3]H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	112.7520	0.000	1	112.7520	0.000	1	109.8713	1.975	14	110.4852	2.013	22	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[5]Pd)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NC[5]Pd){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	110.6010	0.000	1	110.6010	0.000	1	109.8713	1.975	14	110.4852	2.013	22	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[5]Zn)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NC[5]Zn){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	107.9277	0.875	3	107.9277	0.766	3	109.8713	1.975	14	110.4852	2.013	22	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[6a]Cu)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NC[6a]Cu){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	109.7848	0.466	5	109.7848	0.217	5	109.8713	1.975	14	110.4852	2.013	22	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NCuC)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NCuC){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	109.9940	0.262	2	109.9940	0.068	2	109.8713	1.975	14	110.4852	2.013	22	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NHN)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NHN){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	110.8820	0.000	1	110.8820	0.000	1	109.8713	1.975	14	110.4852	2.013	22	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:P-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PC[6]2)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PC[6]2){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	110.9790	0.000	1	110.9790	0.000	1	111.3640	0.142	3	110.4852	2.013	22	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:P-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PC[6a]2)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PC[6a]2){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	111.3820	0.000	1	111.3820	0.000	1	111.3640	0.142	3	110.4852	2.013	22	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:P-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PCl2)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PCl2){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	111.7310	0.000	1	111.7310	0.000	1	111.3640	0.142	3	110.4852	2.013	22	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	P-3:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](PC[6a]C[5])(N[5]C[5]C)2	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C[5](PC[6a]C[5])(N[5]C[5]C)2{4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	112.0845	0.124	2	112.0845	0.015	2	112.0845	0.015	2	110.4852	2.013	22	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:2:1:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]N[5]H)(CClHH)	N[5](C[5]N[5]C)(N[5]C[5])(H)	N[5](C[5]N[5]C)2(CCHH)	C[5](N[5]C[5]C)(N[5]N[5]H)(CClHH){1|C<4>}	N[5](C[5]N[5]C)(N[5]C[5])(H){2|C<4>}	N[5](C[5]N[5]C)2(CCHH){1|H<1>}	106.9310	0.000	1	106.9310	0.000	1	106.8707	0.049	3	106.8707	0.049	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:2:1:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]N[5]H)(CClHH)	N[5](C[5]N[5]C)(N[5]C[5])(H)	N[5](C[5]N[5]C)2(CC[6a]HH)	C[5](N[5]C[5]C)(N[5]N[5]H)(CClHH){1|C<4>}	N[5](C[5]N[5]C)(N[5]C[5])(H){2|C<4>}	N[5](C[5]N[5]C)2(CC[6a]HH){1|H<1>}	106.8405	0.303	2	106.8405	0.092	2	106.8707	0.049	3	106.8707	0.049	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:2:4:	3:2:3:	N[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:N-3:	C[5](N[5]N[5]C)(N[5]N[5]N)(CH3)	N[5](C[5]N[5]C)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(N[5]N[5])(NHH)	C[5](N[5]N[5]C)(N[5]N[5]N)(CH3)	N[5](C[5]N[5]C)(N[5]N[5])(CH3){1|N<3>}	N[5](C[5]N[5]C)(N[5]N[5])(NHH){1|C<4>}	104.1030	0.482	2	104.1030	0.233	2	104.1030	0.233	2	104.1030	0.233	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:2:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]N[5]C)(BH3)	N[5](C[5]N[5]B)(N[5]C[5])(CH3)	N[5](C[5]N[5]B)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)(N[5]N[5]C)(BH3){1|H<1>}	N[5](C[5]N[5]B)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	N[5](C[5]N[5]B)(C[5]N[5]H)(CH3){1|C<4>}	103.6990	0.000	1	103.6990	0.000	1	103.6990	0.000	1	103.6990	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]H)2(CCHH)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(H)	C[5](N[5]C[5,6]H)2(CCHH){1|C<2>,1|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(H){1|C<2>,1|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(H){1|H<1>,2|C<3>}	107.7060	0.000	1	107.7060	0.000	1	107.7060	0.000	1	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5](N[5]C[5,6a]H)2(CCHH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	109.2334	0.658	34	109.2334	0.433	34	109.2293	0.531	94	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(CCHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5](N[5]C[5,6a]H)2(CCHO){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	109.5914	0.627	9	109.5914	0.393	9	109.2293	0.531	94	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(CClHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5](N[5]C[5,6a]H)2(CClHH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	109.2570	0.000	1	109.2570	0.000	1	109.2293	0.531	94	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(CF3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5](N[5]C[5,6a]H)2(CF3){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	110.2725	0.004	2	110.2725	0.000	2	109.2293	0.531	94	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5](N[5]C[5,6a]H)2(CH3){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	108.6944	0.583	11	108.6944	0.340	11	109.2293	0.531	94	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5](N[5]C[5,6a]H)2(CHHN){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	109.2022	0.789	33	109.2022	0.623	33	109.2293	0.531	94	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5](N[5]C[5,6a]H)2(CHHO){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	108.9055	0.200	2	108.9055	0.040	2	109.2293	0.531	94	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(CHHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5](N[5]C[5,6a]H)2(CHHS){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	110.1120	0.000	1	110.1120	0.000	1	109.2293	0.531	94	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(CHOO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5](N[5]C[5,6a]H)2(CHOO){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	110.2590	0.000	1	110.2590	0.000	1	109.2293	0.531	94	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CCCH){2|C<3>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|H<1>}	107.4610	0.000	1	107.4610	0.000	1	107.0361	11.150	64	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CCCH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){2|H<1>}	109.3320	0.000	1	109.3320	0.000	1	107.0361	11.150	64	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CCHH)	N[5](C[5]C[5]2)(C[5]N[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CCHH){1|C<3>,1|H<1>}	N[5](C[5]C[5]2)(C[5]N[5]C)(H){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>,1|H<1>}	107.0970	0.000	1	107.0970	0.000	1	107.0361	11.150	64	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CCHH){2|C<3>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|H<1>}	107.6830	0.000	1	107.6830	0.000	1	107.0361	11.150	64	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CCHH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){2|H<1>}	107.2078	0.996	6	107.2078	0.991	6	107.0361	11.150	64	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CC[5]CH)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CC[5]CH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){2|H<1>}	107.7262	0.560	4	107.7262	0.314	4	107.0361	11.150	64	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CC[5]HN)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CC[5]HN){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){2|H<1>}	107.7500	0.083	2	107.7500	0.007	2	107.0361	11.150	64	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CH3)	N[5](C[5]C[5]2)(C[5]N[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CH3){1|C<3>,1|H<1>}	N[5](C[5]C[5]2)(C[5]N[5]C)(H){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>,1|H<1>}	107.8510	0.000	1	107.8510	0.000	1	107.0361	11.150	64	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CH3){2|C<3>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|H<1>}	107.2935	0.687	2	107.2935	0.471	2	107.0361	11.150	64	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){2|H<1>}	107.7530	2.032	2	107.7530	4.130	2	107.0361	11.150	64	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){2|H<1>}	106.7708	4.018	43	106.7708	16.145	43	107.0361	11.150	64	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(PC[6a]OO)	N[5](C[5]C[5]H)(C[5]N[5]P)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(H)	C[5](N[5]C[5]H)2(PC[6a]OO){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(H){2|H<1>}	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1	108.3302	5.890	160	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:2:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-2:	C[5](N[5]C[5]C)(N[5]C[5]H)(CC[6]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH)	C[5](N[5]C[5]C)(N[5]C[5]H)(CC[6]HH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<2>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH){2|H<1>}	106.9470	0.000	1	106.9470	0.000	1	106.9470	0.000	1	106.9470	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(CC[6]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(CC[6]HH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CHH){2|H<1>}	106.5150	0.000	1	106.5150	0.000	1	106.5150	0.000	1	106.5150	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){2|C<3>,2|H<1>}	109.2410	0.000	1	109.2410	0.000	1	109.4933	0.315	7	107.9142	1.176	33	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	109.1855	0.213	4	109.1855	0.046	4	109.4933	0.315	7	107.9142	1.176	33	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHO){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	109.9110	0.000	1	109.9110	0.000	1	109.4933	0.315	7	107.9142	1.176	33	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CHHN){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	110.5590	0.000	1	110.5590	0.000	1	109.4933	0.315	7	107.9142	1.176	33	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){2|H<1>}	107.3793	1.372	3	107.3793	1.883	3	107.5322	0.516	25	107.9142	1.176	33	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(CC[6]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(CC[6]HH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|H<1>}	107.4450	0.000	1	107.4450	0.000	1	107.5322	0.516	25	107.9142	1.176	33	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){2|H<1>}	107.3415	0.873	8	107.3415	0.761	8	107.5322	0.516	25	107.9142	1.176	33	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|H<1>}	107.6986	0.437	7	107.6986	0.191	7	107.5322	0.516	25	107.9142	1.176	33	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3){1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>,1|N<3>}	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){2|H<1>}	108.3320	0.338	2	108.3320	0.114	2	107.5322	0.516	25	107.9142	1.176	33	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(CHHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(CHHN){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|H<1>}	107.4200	0.090	3	107.4200	0.008	3	107.5322	0.516	25	107.9142	1.176	33	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(CHHP)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(CHHP){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|H<1>}	107.1750	0.000	1	107.1750	0.000	1	107.5322	0.516	25	107.9142	1.176	33	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(PC[6a]OO)	N[5](C[5]C[5]H)(C[5]N[5]P)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(PC[6a]OO){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){2|H<1>}	106.4120	0.000	1	106.4120	0.000	1	106.4120	0.000	1	107.9142	1.176	33	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:2:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]C[5]O)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]C)(OH)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)(N[5]C[5]O)(CCHH){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(OH){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|O<2>}	106.5330	0.330	2	106.5330	0.109	2	106.4663	0.068	3	106.4663	0.068	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:2:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)(N[5]C[5]O)(CCHH)	N[5](C[5]C[5a]C[5])(C[5]N[5]C)(OH)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)(N[5]C[5]O)(CCHH){1|C<3>,1|C<4>}	N[5](C[5]C[5a]C[5])(C[5]N[5]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|O<2>}	106.3330	0.000	1	106.3330	0.000	1	106.4663	0.068	3	106.4663	0.068	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:O-2:	C[5](N[5]C[5]O)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(OC)	N[5](C[5]C[5]H)(C[5]N[5]C)(OC)	C[5](N[5]C[5]O)2(CH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(OC){1|H<1>,1|O<2>}	N[5](C[5]C[5]H)(C[5]N[5]C)(OC){1|H<1>,1|O<2>}	103.3390	0.000	1	103.3390	0.000	1	103.3390	0.000	1	103.3390	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(CH3)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]C)	N[5](C[5]N[5]C)(N[5]C[5])(H)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(CH3){3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]C){3|H<1>,4|C<3>}	N[5](C[5]N[5]C)(N[5]C[5])(H){2|C<3>}	106.5120	0.000	1	106.5120	0.000	1	106.5120	0.000	1	106.5120	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[6a]-3:B[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]B[5])(N[5]N[5]H)(CC3)	N[5](C[6a]C[6a]2)(B[5]N[5]O)(C[5]N[5]C)	N[5](N[5]C[6a]B[5])(C[5]N[5]C)(H)	C[5](N[5]C[6a]B[5])(N[5]N[5]H)(CC3){1|O<2>,3|C<3>}	N[5](C[6a]C[6a]2)(B[5]N[5]O)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](N[5]C[6a]B[5])(C[5]N[5]C)(H){1|O<2>,3|C<3>}	108.8800	0.000	1	108.8800	0.000	1	108.8800	0.000	1	107.3436	0.806	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(CH3){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){2|C<3>,4|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>,1|H<1>}	106.9595	0.302	4	106.9595	0.091	4	106.9595	0.091	4	107.3436	0.806	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:P-3:	C[5]-3:C[5]-3:P-3:	C[5](N[5]C[5]P)2(BC[6a]3)	N[5](C[5]C[5]H)(C[5]N[5]B)(PCC)	N[5](C[5]C[5]H)(C[5]N[5]B)(PCC)	C[5](N[5]C[5]P)2(BC[6a]3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(PCC){1|H<1>,1|P<3>}	N[5](C[5]C[5]H)(C[5]N[5]B)(PCC){1|H<1>,1|P<3>}	104.9810	0.000	1	104.9810	0.000	1	104.9810	0.000	1	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BBHH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BBHH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	103.6880	0.435	3	103.6880	0.189	3	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BBr3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BBr3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	104.7070	0.000	1	104.7070	0.000	1	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BC3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BC3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	104.4620	0.796	2	104.4620	0.634	2	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BCCI)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BCCI){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	105.9390	0.000	1	105.9390	0.000	1	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BCHH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BCHH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	104.4070	0.000	1	104.4070	0.000	1	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BCSS)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BCSS){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	105.0070	0.000	1	105.0070	0.000	1	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BC[6]HH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BC[6]HH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	104.4770	0.000	1	104.4770	0.000	1	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BC[6a]3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	103.6300	0.000	1	103.6300	0.000	1	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BCl2B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BCl2B){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	104.4050	0.000	1	104.4050	0.000	1	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BCl2N)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BCl2N){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	104.3540	0.000	1	104.3540	0.000	1	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BCl2O)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BCl2O){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	105.3860	0.000	1	105.3860	0.000	1	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BCl3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BCl3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	104.8900	0.184	2	104.8900	0.034	2	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BClCH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BClCH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	104.5655	0.173	2	104.5655	0.030	2	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BCu2B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BCu2B){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	104.5960	0.299	4	104.5960	0.089	4	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BH3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BH3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	104.1190	0.000	1	104.1190	0.000	1	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BHHI)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BHHI){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	105.0750	0.000	1	105.0750	0.000	1	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BHHN)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BHHN){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	105.0660	0.383	6	105.0660	0.147	6	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BHHO)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BHHO){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	105.0990	0.000	1	105.0990	0.000	1	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BHHS)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BHHS){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	105.0330	0.000	1	105.0330	0.000	1	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BI3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BI3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	105.7040	0.000	1	105.7040	0.000	1	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BN[5]HH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BN[5]HH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	104.6520	0.000	1	104.6520	0.000	1	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BN[5a]HH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BN[5a]HH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	104.9580	0.349	4	104.9580	0.122	4	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BRuCN)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BRuCN){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	104.6690	0.000	1	104.6690	0.000	1	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BS3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BS3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	104.3260	0.000	1	104.3260	0.000	1	104.7125	0.316	40	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B[3]-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(B[3]C[3]2H)	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(B[3]C[3]2H){4|H<1>,6|C<3>}	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,3|C<3>,4|C<4>}	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,3|C<3>,4|C<4>}	104.8180	0.083	3	104.8180	0.007	3	104.8180	0.007	3	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CB[5]HH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CB[5]HH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	106.3580	0.000	1	106.3580	0.000	1	106.7819	0.250	19	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CCHH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CCHH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	105.5420	0.000	1	105.5420	0.000	1	106.7819	0.250	19	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CC[5]HH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CC[5]HH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	106.7760	0.000	1	106.7760	0.000	1	106.7819	0.250	19	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CC[6a]3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CC[6a]3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	106.2160	0.000	1	106.2160	0.000	1	106.7819	0.250	19	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CC[6a]CH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CC[6a]CH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	106.8720	0.014	2	106.8720	0.000	2	106.7819	0.250	19	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CC[6a]HH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CC[6a]HH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	107.0660	0.000	1	107.0660	0.000	1	106.7819	0.250	19	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CC[6a]HO)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CC[6a]HO){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	106.9970	0.000	1	106.9970	0.000	1	106.7819	0.250	19	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CGeHH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CGeHH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	107.1068	0.482	5	107.1068	0.232	5	106.7819	0.250	19	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CH3){1|B<4>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|B<4>,2|C<4>,3|C<3>}	107.0025	0.039	2	107.0025	0.002	2	106.7819	0.250	19	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CHHO)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CHHO){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	107.2410	0.000	1	107.2410	0.000	1	106.7819	0.250	19	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CMnSS)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CMnSS){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	106.1360	0.000	1	106.1360	0.000	1	106.7819	0.250	19	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CRuCH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CRuCH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	106.8310	0.000	1	106.8310	0.000	1	106.7819	0.250	19	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CSnHH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CSnHH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	106.4100	0.000	1	106.4100	0.000	1	106.7819	0.250	19	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6]-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6]C[6]2H)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(C[6]C[6]2H){4|H<1>,6|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,5|C<3>}	106.7220	0.000	1	106.7220	0.000	1	106.7220	0.000	1	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(GaC3)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(GaC3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	103.9240	0.465	2	103.9240	0.216	2	105.0776	0.837	10	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(GaC[5]HH)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(GaC[5]HH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	103.9300	0.000	1	103.9300	0.000	1	105.0776	0.837	10	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(GaCl2F)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(GaCl2F){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	105.8510	0.112	3	105.8510	0.013	3	105.0776	0.837	10	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(GaCl2H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(GaCl2H){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	105.3000	0.000	1	105.3000	0.000	1	105.0776	0.837	10	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(GaCl2N)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(GaCl2N){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	104.5190	0.000	1	104.5190	0.000	1	105.0776	0.837	10	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(GaF3)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(GaF3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	105.6210	0.000	1	105.6210	0.000	1	105.0776	0.837	10	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(GaHOO)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(GaHOO){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	106.0050	0.000	1	106.0050	0.000	1	105.0776	0.837	10	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Ge-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(GeBHH)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(GeBHH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	104.9415	0.146	2	104.9415	0.021	2	105.4840	0.455	6	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Ge-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(GeGeHH)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(GeGeHH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	106.0320	0.000	1	106.0320	0.000	1	105.4840	0.455	6	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Ge-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(GeHHW)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(GeHHW){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	105.6630	0.796	3	105.6630	0.634	3	105.4840	0.455	6	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:In-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(InBr2F)	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(InBr2F){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	105.9470	0.000	1	105.9470	0.000	1	104.5202	0.756	5	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:In-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(InC3)	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(InC3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	103.9440	0.424	2	103.9440	0.180	2	104.5202	0.756	5	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:In-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(InClCC)	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(InClCC){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	104.6130	0.000	1	104.6130	0.000	1	104.5202	0.756	5	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:In-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(InH3)	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(InH3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	104.1530	0.000	1	104.1530	0.000	1	104.5202	0.756	5	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C[6]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(PC[6a]RuC)	N[5](C[5]C[5]H)(C[5]N[5]P)(C[6]C[6]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(PC[6a]RuC){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]P)(C[6]C[6]2){1|Ru<6>,1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	105.9860	0.000	1	105.9860	0.000	1	105.9860	0.000	1	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PBBH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PBBH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	106.0970	0.000	1	106.0970	0.000	1	105.5251	0.183	8	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PC[6a]Cu2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PC[6a]Cu2){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	105.4295	0.500	4	105.4295	0.250	4	105.5251	0.183	8	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(PC[6a]SS)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PC[6a]SS){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	105.2760	0.000	1	105.2760	0.000	1	105.5251	0.183	8	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(POOP)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(POOP){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	105.5550	0.325	2	105.5550	0.106	2	105.5251	0.183	8	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Si-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(SiBHH)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(SiBHH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	105.0590	0.000	1	105.0590	0.000	1	105.0640	0.000	2	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Si-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(SiC3)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(SiC3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	105.0690	0.000	1	105.0690	0.000	1	105.0640	0.000	2	105.3136	0.990	96	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BC[6a]3){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<3>,1|H<1>}	103.8250	0.515	2	103.8250	0.265	2	104.3596	0.330	5	106.6028	3.050	24	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BH3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BH3){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<3>,1|H<1>}	104.7160	0.225	3	104.7160	0.051	3	104.3596	0.330	5	106.6028	3.050	24	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:P-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]P)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(PN[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]P)(CHHN){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(PN[5]2){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|H<1>,1|P<3>,2|C<3>}	110.1217	0.031	3	110.1217	0.001	3	110.1217	0.001	3	106.6028	3.050	24	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C[6])(N[5]C[5]C)(CIrHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(C[6]C[6]2)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(CIrHH){2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(C[6]C[6]2){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<3>,1|H<1>}	107.5380	0.000	1	107.5380	0.000	1	107.5380	0.000	1	106.6028	3.050	24	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(CH3)	N[5](C[5a]N[5a]2)(C[5]C[5]Ir)(C[5]N[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(CH3){1|Ir<8>,1|H<1>,1|N<2>,1|N<3>}	N[5](C[5a]N[5a]2)(C[5]C[5]Ir)(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>,1|C<3>}	106.2250	0.000	1	106.2250	0.000	1	106.0590	0.055	2	106.6028	3.050	24	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(CH3)	N[5](C[5a]N[5a]2)(C[5]C[5]Ru)(C[5]N[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(CH3){1|Ru<9>,1|H<1>,1|N<2>,1|N<3>}	N[5](C[5a]N[5a]2)(C[5]C[5]Ru)(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ru<9>,1|C<3>}	105.8930	0.000	1	105.8930	0.000	1	106.0590	0.055	2	106.6028	3.050	24	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C[6])(N[5]C[5]C)(CH3)	N[5](C[6]C[6]N[6])(C[5]C[5]Rh)(C[5]N[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(CH3){1|Rh<8>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]C[5]Rh)(C[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Rh<8>,1|C<3>}	105.6680	0.462	2	105.6680	0.214	2	105.6680	0.214	2	106.6028	3.050	24	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CAlHH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CAlHH){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<3>,1|H<1>}	106.5070	0.000	1	106.5070	0.000	1	106.7701	0.259	9	106.6028	3.050	24	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<3>,1|H<1>}	106.7713	0.193	3	106.7713	0.037	3	106.7701	0.259	9	106.6028	3.050	24	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<3>,1|H<1>}	106.5570	0.000	1	106.5570	0.000	1	106.7701	0.259	9	106.6028	3.050	24	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]HO)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]HO){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<3>,1|H<1>}	107.1470	0.000	1	107.1470	0.000	1	106.7701	0.259	9	106.6028	3.050	24	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[5]C[5]Pd)(C[5]N[5]C)(CN[5]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|Pd<4>,2|C<3>,3|C<4>}	N[5](C[5]C[5]Pd)(C[5]N[5]C)(CN[5]HH){1|C<3>,1|H<1>}	106.2650	0.083	2	106.2650	0.007	2	106.7701	0.259	9	106.6028	3.050	24	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(C[5]N[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(C[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|C<3>}	107.8760	0.000	1	107.8760	0.000	1	106.7701	0.259	9	106.6028	3.050	24	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:N[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[5]CO)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[5]CO){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<3>,1|H<1>}	107.1905	0.176	2	107.1905	0.031	2	107.1905	0.031	2	106.6028	3.050	24	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]C)(N[5]C[5,6]H)(CH3)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(CCHH)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(H)	C[5](N[5]C[5,6]C)(N[5]C[5,6]H)(CH3){2|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	115.9070	0.000	1	115.9070	0.000	1	115.9070	0.000	1	108.2390	4.711	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:As-1:	C[5](N[5]C[5,6a]As)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(As)	C[5](N[5]C[5,6a]As)(N[5]C[5,6a]C)(CHHN){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|As<1>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(As){1|C<4>,1|H<1>,2|C<3>}	111.4010	0.926	2	111.4010	0.858	2	111.4010	0.858	2	108.2390	4.711	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:Ge-1:	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(Ge)	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Ge<1>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(Ge){1|C<4>,1|H<1>,2|C<3>}	111.7730	0.000	1	111.7730	0.000	1	111.7730	0.000	1	108.2390	4.711	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CN[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CN[5]HH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.0090	0.607	2	109.0090	0.368	2	109.0090	0.368	2	108.2390	4.711	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CC[6a]HH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>,1|C<4>}	106.6220	0.000	1	106.6220	0.000	1	107.1617	0.312	19	108.2390	4.711	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){2|C<4>}	107.1163	0.310	4	107.1163	0.096	4	107.1617	0.312	19	108.2390	4.711	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	107.4250	0.000	1	107.4250	0.000	1	107.1617	0.312	19	108.2390	4.711	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]Br)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]Br)(C[5]N[5]C)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3){2|Br<1>}	N[5](C[5]C[5]Br)(C[5]N[5]C)(CH3){1|Br<1>,1|H<1>}	N[5](C[5]C[5]Br)(C[5]N[5]C)(H){1|Br<1>,1|C<4>}	107.8650	0.000	1	107.8650	0.000	1	107.1617	0.312	19	108.2390	4.711	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){2|C<4>}	107.6540	0.000	1	107.6540	0.000	1	107.1617	0.312	19	108.2390	4.711	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	107.0947	0.646	11	107.0947	0.417	11	107.1617	0.312	19	108.2390	4.711	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){2|C<3>,2|H<1>,3|C<4>}	108.9400	0.371	2	108.9400	0.137	2	108.9400	0.137	2	108.2390	4.711	27	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(BC3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C[5](N[5]C[5,6a]C)2(BC3){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.0465	0.196	2	107.0465	0.038	2	106.9961	0.291	10	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(BCCI)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C[5](N[5]C[5,6a]C)2(BCCI){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.9880	0.000	1	107.9880	0.000	1	106.9961	0.291	10	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(BCCP)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C[5](N[5]C[5,6a]C)2(BCCP){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	106.7040	0.000	1	106.7040	0.000	1	106.9961	0.291	10	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(BCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C[5](N[5]C[5,6a]C)2(BCHH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	106.3600	0.000	1	106.3600	0.000	1	106.9961	0.291	10	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(BCSS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C[5](N[5]C[5,6a]C)2(BCSS){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	106.8990	0.000	1	106.8990	0.000	1	106.9961	0.291	10	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(BC[5]HO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH)	C[5](N[5]C[5,6a]C)2(BC[5]HO){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>,2|C<3>}	107.5640	0.000	1	107.5640	0.000	1	106.9961	0.291	10	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(BS3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C[5](N[5]C[5,6a]C)2(BS3){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	106.1350	0.000	1	106.1350	0.000	1	106.9961	0.291	10	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(BSnCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C[5](N[5]C[5,6a]C)2(BSnCC){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.1090	0.085	2	107.1090	0.007	2	106.9961	0.291	10	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BC3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	C[5](N[5]C[5]C)2(BC3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	104.1090	0.000	1	104.1090	0.000	1	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BC3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BC3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	103.3970	0.000	1	103.3970	0.000	1	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BC3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	C[5](N[5]C[5]C)2(BC3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	102.8365	0.991	2	102.8365	0.981	2	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BCCH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BCCH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	106.0580	0.000	1	106.0580	0.000	1	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BCCI)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BCCI){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	106.0230	0.000	1	106.0230	0.000	1	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BCCS)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BCCS){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	105.7320	0.000	1	105.7320	0.000	1	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BCFF)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BCFF){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	104.9540	0.000	1	104.9540	0.000	1	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BCHH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BCHH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	104.7822	0.351	6	104.7822	0.123	6	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BC[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BC[5]HH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	104.5830	0.000	1	104.5830	0.000	1	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BC[6]HH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BC[6]HH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	104.9237	0.494	4	104.9237	0.244	4	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BC[6a]2C)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BC[6a]2C){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	104.6415	0.132	2	104.6415	0.017	2	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BC[6a]2H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3)	C[5](N[5]C[5]C)2(BC[6a]2H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3){1|C<4>,1|H<1>}	105.5145	0.018	2	105.5145	0.000	2	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BC[6a]3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BC[6a]3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	104.9810	0.000	1	104.9810	0.000	1	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BC[6a]BH)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C[5](N[5]C[5]C)2(BC[6a]BH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	104.5135	0.091	2	104.5135	0.008	2	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BC[6a]CC)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BC[6a]CC){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	104.1580	0.912	2	104.1580	0.832	2	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BC[6a]CH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BC[6a]CH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	104.8490	1.276	2	104.8490	1.627	2	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BCl3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C[5](N[5]C[5]C)2(BCl3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	106.0505	0.158	2	106.0505	0.025	2	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BCl3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	C[5](N[5]C[5]C)2(BCl3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	105.7080	0.000	1	105.7080	0.000	1	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BClHN)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C[5](N[5]C[5]C)2(BClHN){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	106.1160	0.000	1	106.1160	0.000	1	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BF3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BF3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	105.8750	0.000	2	105.8750	0.000	2	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BF3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]N)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BF3){1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|N<3>}	N[5](C[5]C[5]N)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	106.5000	0.000	2	106.5000	0.000	2	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BF3)	N[5](C[5]C[5]N[5])(C[5]N[5]B)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BF3){1|H<1>,1|N<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|N<3>}	106.8710	0.000	2	106.8710	0.000	2	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	C[5](N[5]C[5]C)2(BH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	105.0060	0.000	1	105.0060	0.000	1	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH)	C[5](N[5]C[5]C)2(BH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH){1|C<4>,1|H<1>}	105.7474	0.240	7	105.7474	0.057	7	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BHHN)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BHHN){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	104.5150	0.000	1	104.5150	0.000	1	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BHHN)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BHHN){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	105.9705	1.101	2	105.9705	1.212	2	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BHNN)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BHNN){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	105.9230	0.000	1	105.9230	0.000	1	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BHSS)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BHSS){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	104.8550	0.000	1	104.8550	0.000	1	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BN[5]HH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	105.0140	0.000	1	105.0140	0.000	1	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(BTe2C)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](N[5]C[5]C)2(BTe2C){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	104.3705	0.535	2	104.3705	0.287	2	105.1767	0.877	56	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:B[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](N[5]C[6a]C[5])2(B[5]C[5]2H)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])2(B[5]C[5]2H){4|H<1>,8|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,3|H<1>,5|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,3|H<1>,5|C<3>}	107.9710	0.000	1	107.9710	0.000	1	107.9710	0.000	1	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5](N[5]C[5,6a]C)2(CCHH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	108.9630	0.000	1	108.9630	0.000	1	109.3645	0.145	12	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(CC[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6a]C)2(CC[5]HH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.9220	0.105	3	109.9220	0.011	3	109.3645	0.145	12	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5](N[5]C[5,6a]C)2(CH3){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	109.1340	0.157	3	109.1340	0.025	3	109.3645	0.145	12	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5](N[5]C[5,6a]C)2(CH3){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	109.2943	0.296	3	109.2943	0.088	3	109.3645	0.145	12	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[5](N[5]C[5,6a]C)2(CH3){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	109.1180	0.000	1	109.1180	0.000	1	109.3645	0.145	12	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6a]C)2(CHHO){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.2420	0.000	1	109.2420	0.000	1	109.3645	0.145	12	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:Ga-4:	C[5,6a]-3:C[5]-3:Ga-4:	C[5](N[5]C[5,6a]Ga)2(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(GaN[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(GaN[5]CC)	C[5](N[5]C[5,6a]Ga)2(CH3){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(GaN[5]CC){1|Ga<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(GaN[5]CC){1|Ga<4>,1|H<1>,2|C<3>}	113.5330	0.000	1	113.5330	0.000	1	113.5330	0.000	1	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CAuHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CAuHH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	107.1370	0.000	1	107.1370	0.000	1	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CC3)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CC3){2|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|C<4>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|C<4>,3|C<3>}	106.6060	0.000	1	106.6060	0.000	1	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CCCH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	106.5350	0.000	1	106.5350	0.000	1	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CCCH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	106.6260	0.389	2	106.6260	0.151	2	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	C[5](N[5]C[5]C)2(CCHH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<4>,1|H<1>}	107.9990	0.000	1	107.9990	0.000	1	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CCHH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	107.5570	0.000	1	107.5570	0.000	1	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C[5](N[5]C[5]C)2(CCHH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	107.4025	0.232	4	107.4025	0.054	4	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CCHH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	107.5750	0.000	1	107.5750	0.000	1	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CCHH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	106.6605	0.053	2	106.6605	0.003	2	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CC[5]HH)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CC[5]HH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	107.0870	0.038	2	107.0870	0.001	2	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CC[6a]2C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CC[6a]2C){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	106.6690	0.000	1	106.6690	0.000	1	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CFeCC)	N[5](C[5]C[5]C)(C[5]N[5]C)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]C)(CCCH)	C[5](N[5]C[5]C)2(CFeCC){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CCCH){2|C<4>}	106.5670	0.000	1	106.5670	0.000	1	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CGaHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CGaHH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	106.7020	0.000	1	106.7020	0.000	1	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	107.6275	0.517	2	107.6275	0.267	2	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	106.5360	0.000	1	106.5360	0.000	1	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]C)2(CH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	107.5730	0.252	2	107.5730	0.063	2	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	N[5](C[5]C[5]Rh)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]C)2(CH3){1|Rh<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|Rh<6>,1|C<4>}	N[5](C[5]C[5]Rh)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	106.2260	0.609	4	106.2260	0.371	4	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]C)2(CH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	108.3785	1.643	2	108.3785	2.698	2	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	107.5749	0.918	40	107.5749	0.843	40	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]C)2(CH3){1|Ir<7>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Ir<7>,1|C<4>}	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	106.6105	0.023	2	106.6105	0.001	2	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	107.7775	0.508	2	107.7775	0.258	2	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C[5](N[5]C[5]C)2(CH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	107.6230	0.000	1	107.6230	0.000	1	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]C)2(CH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	107.6610	0.413	2	107.6610	0.171	2	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	107.5717	0.520	7	107.5717	0.271	7	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5]HH)	C[5](N[5]C[5]C)2(CH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5]HH){1|C<4>,1|H<1>}	107.0265	0.043	2	107.0265	0.002	2	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CPdCH)	C[5](N[5]C[5]C)2(CH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CPdCH){1|C<4>,1|H<1>}	107.7510	0.583	2	107.7510	0.339	2	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]Pd)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]C)2(CH3){1|Pd<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Pd<4>,1|C<4>}	N[5](C[5]C[5]Pd)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	106.9150	0.000	1	106.9150	0.000	1	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	107.0228	1.055	10	107.0228	1.113	10	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CHHO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CHHO){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	107.4985	0.445	2	107.4985	0.198	2	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CH3){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	106.5875	0.607	2	106.5875	0.369	2	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CH3){1|Ir<8>,1|H<1>}	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>,1|C<4>}	106.3290	1.491	3	106.3290	2.222	3	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CH3){1|Ir<8>,1|H<1>}	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>,1|C<4>}	106.7250	0.000	1	106.7250	0.000	1	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]Pt)(C[5]N[5]C)(CN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C[5](N[5]C[5]C)2(CH3){1|Pt<6>,1|H<1>}	N[5](C[5]C[5]Pt)(C[5]N[5]C)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|Pt<6>,1|C<4>}	106.8420	0.357	4	106.8420	0.127	4	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]Rh)(C[5]N[5]C)(CN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C[5](N[5]C[5]C)2(CH3){1|Rh<6>,1|H<1>}	N[5](C[5]C[5]Rh)(C[5]N[5]C)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|Rh<6>,1|C<4>}	106.5250	0.430	2	106.5250	0.185	2	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]Rh)(C[5]N[5]C)(CN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]C)2(CH3){1|Rh<6>,1|H<1>}	N[5](C[5]C[5]Rh)(C[5]N[5]C)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Rh<6>,1|C<4>}	106.7525	0.060	2	106.7525	0.004	2	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CHHO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CHHO){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	107.4595	0.390	2	107.4595	0.152	2	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CHHP)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CHHP){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	107.2830	0.000	1	107.2830	0.000	1	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CHHW)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CHHW){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	106.3920	0.505	3	106.3920	0.255	3	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CIrHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]C)2(CIrHH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	106.9070	0.171	3	106.9070	0.029	3	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CIrHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C)2(CIrHH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	107.2830	0.000	1	107.2830	0.000	1	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CPdHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CPdCH)	C[5](N[5]C[5]C)2(CPdHH){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CPdCH){1|C<4>,1|H<1>}	107.3660	0.402	2	107.3660	0.161	2	107.2334	0.675	127	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(C[5]C[5]2Fe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5](N[5]C[5,6a]C)2(C[5]C[5]2Fe){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|Fe<10>,1|H<1>,2|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|Fe<10>,1|H<1>,2|C<3>,3|C<4>}	108.1580	0.000	1	108.1580	0.000	1	108.1580	0.000	1	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ga-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GaC[5]HH)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(GaC[5]HH){2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	105.1850	0.000	1	105.1850	0.000	1	105.0829	0.790	7	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ga-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GaC[5]HH)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(GaC[5]HH){2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3){2|C<4>}	104.1760	0.110	2	104.1760	0.012	2	105.0829	0.790	7	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ga-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GaCl2H)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(GaCl2H){2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	105.1200	0.000	1	105.1200	0.000	1	105.0829	0.790	7	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ga-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GaCl3)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(GaCl3){2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	106.3390	0.000	1	106.3390	0.000	1	105.0829	0.790	7	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ga-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GaCl3)	N[5](C[5]N[5]Ga)(C[5]C[5]H)(CH3)	N[5](C[5]N[5]Ga)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C)2(GaCl3){2|H<1>}	N[5](C[5]N[5]Ga)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	N[5](C[5]N[5]Ga)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.1300	0.000	1	106.1300	0.000	1	105.0829	0.790	7	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ga-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GaH3)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(GaH3){2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3){2|C<4>}	104.4540	0.000	1	104.4540	0.000	1	105.0829	0.790	7	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ga[4]-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(Ga[4]P[4]2H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Ga[4]N[5])(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Ga[4]N[5])(CCCH)	C[5](N[5]C[5,6a]C)2(Ga[4]P[4]2H){1|Ga<4>,2|Si<4>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Ga[4]N[5])(CCCH){1|C<4>,2|C<3>,2|H<1>,2|P<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Ga[4]N[5])(CCCH){1|C<4>,2|C<3>,2|H<1>,2|P<3>}	106.6615	0.252	2	106.6615	0.064	2	106.6615	0.064	2	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ge-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GeCII)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(GeCII){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	106.7390	0.000	1	106.7390	0.000	1	106.3004	0.211	5	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ge-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GeCOO)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(GeCOO){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	106.7700	0.000	1	106.7700	0.000	1	106.3004	0.211	5	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ge-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GeCl2Fe)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(GeCl2Fe){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	106.2480	0.000	1	106.2480	0.000	1	106.3004	0.211	5	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ge-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GeFe2Ge)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(GeFe2Ge){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	105.6970	0.000	1	105.6970	0.000	1	106.3004	0.211	5	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Ge-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(GeFeSi2)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(GeFeSi2){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	106.0480	0.000	1	106.0480	0.000	1	106.3004	0.211	5	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:In-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(InH3)	N[5](C[5]N[5]In)(C[5]C[5]H)(CCHH)	N[5](C[5]N[5]In)(C[5]C[5]H)(CC3)	C[5](N[5]C[5]C)2(InH3){2|H<1>}	N[5](C[5]N[5]In)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]N[5]In)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	104.5670	0.000	1	104.5670	0.000	1	104.5670	0.000	1	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(PC[5]SS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3)	C[5](N[5]C[5,6a]C)2(PC[5]SS){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.6740	0.000	1	108.6740	0.000	1	108.6740	0.000	1	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PC[5]SS)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PC[5]SS){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	106.4710	0.000	1	106.4710	0.000	1	107.1520	0.660	3	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PO3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	C[5](N[5]C[5]C)2(PO3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	106.9340	0.000	1	106.9340	0.000	1	107.1520	0.660	3	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PPdCC)	N[5](C[5]C[5]C)(C[5]N[5]P)(CPdHH)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PPdCC){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CPdHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){2|C<4>}	108.0510	0.000	1	108.0510	0.000	1	107.1520	0.660	3	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiC3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CC3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CC3)	C[5](N[5]C[5]C)2(SiC3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CC3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CC3){2|C<4>}	106.2370	0.000	1	106.2370	0.000	1	105.4707	0.672	18	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiC3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(SiC3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	105.2450	0.000	1	105.2450	0.000	1	105.4707	0.672	18	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiCHW)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(SiCHW){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	103.5320	0.000	1	103.5320	0.000	1	105.4707	0.672	18	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiC[5]HW)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(SiC[5]HW){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	104.6790	0.068	2	104.6790	0.005	2	105.4707	0.672	18	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiClCN)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(SiClCN){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	105.9196	0.216	5	105.9196	0.046	5	105.4707	0.672	18	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiClNN)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(SiClNN){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	106.2590	0.000	1	106.2590	0.000	1	105.4707	0.672	18	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiClSiC)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(SiClSiC){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	105.9250	0.000	1	105.9250	0.000	1	105.4707	0.672	18	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiMnCH)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(SiMnCH){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	104.2120	0.000	1	104.2120	0.000	1	105.4707	0.672	18	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiNOO)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(SiNOO){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	106.6410	0.000	1	106.6410	0.000	1	105.4707	0.672	18	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiNOO)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(SiNOO){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	104.8870	0.000	1	104.8870	0.000	1	105.4707	0.672	18	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiNOP)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(SiNOP){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	105.8720	0.000	1	105.8720	0.000	1	105.4707	0.672	18	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiSiBH)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C[5](N[5]C[5]C)2(SiSiBH){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	104.9910	0.000	1	104.9910	0.000	1	105.4707	0.672	18	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiSiOO)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C[5](N[5]C[5]C)2(SiSiOO){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	105.7150	0.000	1	105.7150	0.000	1	105.4707	0.672	18	106.6698	2.105	245	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]HH){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C){2|C<3>,3|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.7788	0.135	8	109.7788	0.018	8	109.7788	0.018	8	109.7788	0.018	8	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(BB[5a]BH)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BB[5a]BH){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	107.6030	0.000	1	107.6030	0.000	1	108.6155	0.899	4	108.6898	1.662	26	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(BBr2B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BBr2B){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	108.4220	0.000	1	108.4220	0.000	1	108.6155	0.899	4	108.6898	1.662	26	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(BCl2B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BCl2B){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	108.5450	0.000	1	108.5450	0.000	1	108.6155	0.899	4	108.6898	1.662	26	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(BF3)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BF3){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	109.8920	0.000	1	109.8920	0.000	1	108.6155	0.899	4	108.6898	1.662	26	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(CBHH)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CBHH){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	110.4840	0.000	1	110.4840	0.000	1	110.2676	4.036	5	108.6898	1.662	26	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(CC[5]HH)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CC[5]HH){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	111.4010	0.000	1	111.4010	0.000	1	110.2676	4.036	5	108.6898	1.662	26	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CH3){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	112.5630	0.000	1	112.5630	0.000	1	110.2676	4.036	5	108.6898	1.662	26	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(CMnSS)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CMnSS){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	109.6490	0.000	1	109.6490	0.000	1	110.2676	4.036	5	108.6898	1.662	26	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(CReSS)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CReSS){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	107.2410	0.000	1	107.2410	0.000	1	110.2676	4.036	5	108.6898	1.662	26	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(GaC3)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	C[5](N[5]C[6a]C[5])2(GaC3){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<4>,2|H<1>,3|C<3>}	108.0509	0.353	8	108.0509	0.125	8	108.2207	0.144	12	108.6898	1.662	26	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(GaCCO)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	C[5](N[5]C[6a]C[5])2(GaCCO){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<4>,2|H<1>,3|C<3>}	108.5115	0.070	2	108.5115	0.005	2	108.2207	0.144	12	108.6898	1.662	26	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(GaH3)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	C[5](N[5]C[6a]C[5])2(GaH3){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<4>,2|H<1>,3|C<3>}	108.6095	0.054	2	108.6095	0.003	2	108.2207	0.144	12	108.6898	1.662	26	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:In-4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(InC3)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]In)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]In)	C[5](N[5]C[6a]C[5])2(InC3){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]In){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]In){2|C<4>,2|H<1>,3|C<3>}	107.7640	0.484	3	107.7640	0.234	3	107.8093	0.164	4	108.6898	1.662	26	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:In-4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(InCCO)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]In)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]In)	C[5](N[5]C[6a]C[5])2(InCCO){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]In){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]In){2|C<4>,2|H<1>,3|C<3>}	107.9450	0.000	1	107.9450	0.000	1	107.8093	0.164	4	108.6898	1.662	26	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:P-4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(PC[6a]SS)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PC[6a]SS){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	110.2480	0.000	1	110.2480	0.000	1	110.2480	0.000	1	108.6898	1.662	26	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	4:3:4:	N[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BC3)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	N[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BC3){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH){1|C<3>,2|H<1>}	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	110.0220	5.244	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	4:3:4:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CH3){1|C<3>,2|H<1>}	111.4250	0.000	1	111.8800	0.414	2	111.8800	0.414	2	110.0220	5.244	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	4:3:4:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CH3){1|C<3>,2|H<1>}	112.3350	0.000	1	111.8800	0.414	2	111.8800	0.414	2	110.0220	5.244	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	4:3:4:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CCHH){1|C<3>,2|H<1>}	109.0330	0.000	1	109.0330	0.000	1	109.0330	0.000	1	110.0220	5.244	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:5:3:	3:3:2:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:Ge-5:C[5]-3:	C[5,6a]-3:C[5]-3:C-2:	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC)	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C){1|C<2>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC){1|Ge<5>,1|H<1>,2|C<3>}	111.7680	0.000	1	111.7680	0.000	1	111.7680	0.000	1	111.7680	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	3:5:3:	3:3:4:	N[5]-3:N[5]-3:C-4:	C[5,6a]-3:Ge-5:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Ge<5>,1|H<1>,2|C<3>}	111.5895	0.384	2	111.5895	0.147	2	111.5895	0.147	2	111.5895	0.147	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,6]H)2(CCHH)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(H)	C[5](N[5]C[5,6]H)2(CCHH){2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(H){2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(H){2|C<4>,4|H<1>}	112.1380	0.498	2	112.1380	0.248	2	112.1380	0.248	2	111.1823	1.623	13	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CCHH)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CCHH){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){3|H<1>}	111.6664	0.685	5	111.6664	0.469	5	111.8506	0.498	7	111.1823	1.623	13	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CC[5]HH)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CC[5]HH){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(H){2|H<1>,3|C<3>}	112.3110	0.718	2	112.3110	0.516	2	111.8506	0.498	7	111.1823	1.623	13	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](N[5]C[5]O)2(CHHN)	N[5](C[5]C[5]CC)(C[5]N[5]C)(O)	N[5](C[5]C[5]CC)(C[5]N[5]C)(O)	C[5](N[5]C[5]O)2(CHHN){4|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]C)(O){1|O<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]C)(O){1|O<1>,2|C<4>}	109.5350	0.380	4	109.5350	0.144	4	109.5350	0.144	4	111.1823	1.623	13	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	4:3:1:	4:3:2:	N[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-2:	C[5](N[5]C[5]O)2(CHHN)	N[5](C[5]C[5]CC)(C[5]N[5]C)(O)	N[5](C[5]C[5]CC)(C[5]N[5]C)(OLi)	C[5](N[5]C[5]O)2(CHHN){1|C<3>,3|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]C)(O){1|C<3>,1|C<4>,1|O<2>}	N[5](C[5]C[5]CC)(C[5]N[5]C)(OLi){1|O<1>,2|C<4>}	108.4400	0.000	1	108.4400	0.000	1	108.4400	0.000	1	108.4400	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	4:3:2:	4:3:1:	N[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5](N[5]C[5]O)2(CHHN)	N[5](C[5]C[5]CC)(C[5]N[5]C)(OLi)	N[5](C[5]C[5]CC)(C[5]N[5]C)(O)	C[5](N[5]C[5]O)2(CHHN){4|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]C)(OLi){1|O<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]C)(O){1|O<2>,2|C<4>}	109.3205	0.124	2	109.3205	0.015	2	109.3205	0.015	2	109.3205	0.015	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	4:3:3:	3:3:3:	N[5]-3:N[5]-3:Si-4:	C[6]-4:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(SiNiCC)	N[5](C[6]C[6]2Ni)(C[5]N[5]Si)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(SiNiCC){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6]C[6]2Ni)(C[5]N[5]Si)(C[5]C[5]H){1|C<3>,1|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	105.2650	0.000	1	105.2650	0.000	1	105.2650	0.000	1	105.2650	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:B-4:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[5]C[6])2(BH3)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[5]C[6])2(BH3){4|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]B){3|C<4>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]B){3|C<4>,5|H<1>}	104.9850	0.000	1	104.9850	0.000	1	104.9850	0.000	1	106.0140	2.118	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:C-4:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[5]C[6])2(CMnSS)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]C[6])2(CMnSS){4|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){3|C<4>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){3|C<4>,5|H<1>}	107.0430	0.000	1	107.0430	0.000	1	107.0430	0.000	1	106.0140	2.118	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CCHH)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC3)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC3)	C[5](N[5]C[5]C)2(CCHH){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC3){1|C<4>,2|H<1>}	112.7660	0.000	1	112.7660	0.000	1	112.7345	0.002	2	112.7345	0.002	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]C)2(CH3){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){1|C<4>,2|H<1>}	112.7030	0.000	1	112.7030	0.000	1	112.7345	0.002	2	112.7345	0.002	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:4:	6:3:2:	3:2:4:	N[5]-3:N[5]-3:C-4:	B[5x3,4,9x5,6,6]-6:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	C[5](N[5]B[5x3,4,9x5,6,6]N[5])(N[5]N[5]C)(CH3)	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]N[5]C)(N[5]N[5])	N[5](C[5]N[5]C)(N[5]N[5])(CH3)	C[5](N[5]B[5x3,4,9x5,6,6]N[5])(N[5]N[5]C)(CH3){1|B<5>,4|B<6>}	N[5](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(C[5]N[5]C)(N[5]N[5]){1|B<5>,1|C<4>,3|B<6>,5|H<1>}	N[5](C[5]N[5]C)(N[5]N[5])(CH3){1|B<6>}	105.5330	0.000	1	105.5330	0.000	1	105.5330	0.000	1	105.5330	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:5:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-5:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BCu3B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BCu3B){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	104.5280	0.000	1	104.5280	0.000	1	104.5280	0.000	1	104.4737	1.536	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:5:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Nb-5:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(NbC[5]Br2O)	N[5](C[6a]C[6a]2)(C[5]N[5]Nb)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Nb)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(NbC[5]Br2O){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Nb)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Nb)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	103.6105	0.565	2	103.6105	0.319	2	103.6105	0.319	2	104.4737	1.536	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:5:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Si-5:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(SiBr4)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(SiBr4){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	106.1460	0.000	1	106.1460	0.000	1	106.1460	0.000	1	104.4737	1.536	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:5:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:Si-5:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(SiCl2HH)	N[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)	C[5](N[5]C[5]C)2(SiCl2HH){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3){1|C<4>,2|H<1>}	110.7560	0.000	1	110.7560	0.000	1	110.7560	0.000	1	110.7560	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:6:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:Si-6:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(SiC[5]Cl2HH)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(SiC[5]Cl2HH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	104.4500	0.122	2	104.4500	0.015	2	104.4500	0.015	2	104.4500	0.015	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:6:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:P-6:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PC[6a]F4)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PC[6a]F4){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	105.8460	0.000	1	105.8460	0.000	1	105.8460	0.000	1	105.8460	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:6:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:P-6:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PCF4)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PCF4){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	110.7745	0.275	4	110.7745	0.075	4	110.6176	0.136	7	110.6176	0.136	7	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:6:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:P-6:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PC[6a]F4)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PC[6a]F4){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	110.1180	0.000	1	110.1180	0.000	1	110.6176	0.136	7	110.6176	0.136	7	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:6:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:P-6:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PF4H)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PF4H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	110.2120	0.000	1	110.2120	0.000	1	110.6176	0.136	7	110.6176	0.136	7	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:3:6:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:P-6:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(PF5)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]C)2(PF5){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	110.8950	0.000	1	110.8950	0.000	1	110.6176	0.136	7	110.6176	0.136	7	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:4:3:	3:3:3:	3:3:4:	N[5]-3:P-4:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(PC[6a]2Ir)(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C[5](N[5]C[6a]C[5])(PC[6a]2Ir)(N[5]C[5]C){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<3>,1|H<1>}	107.1265	0.073	2	107.1265	0.005	2	106.6688	0.293	4	106.6688	0.293	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	3:4:3:	3:3:3:	3:3:4:	N[5]-3:P-4:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(PC[6a]2Pd)(N[5]C[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C[5](N[5]C[6a]C[5])(PC[6a]2Pd)(N[5]C[5]C){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<3>,1|H<1>}	106.2110	0.190	2	106.2110	0.036	2	106.6688	0.293	4	106.6688	0.293	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5]H)(N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]N[5]H)(N[5]C[5,6a]H)2{2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	109.2155	0.499	2	109.2155	0.249	2	109.2155	0.249	2	108.6343	1.138	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6]N[6]2H)(N[5]C[5]H)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](C[6]N[6]2H)(N[5]C[5]H)2{2|N<3>,4|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H){2|N<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H){2|N<3>,3|H<1>}	107.4720	0.000	1	107.4720	0.000	1	107.4720	0.000	1	108.6343	1.138	3	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:3:	3:3:3:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](B[3]C[3]N[3]Br)(N[5]C[6a]C[5])2	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](B[3]C[3]N[3]Br)(N[5]C[6a]C[5])2{1|B<3>,2|H<1>,5|C<3>}	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Br<1>,1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Br<1>,1|H<1>,1|N<3>,2|C<4>,4|C<3>}	106.1050	0.000	1	106.1050	0.000	1	106.1050	0.000	1	105.1108	1.188	21	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:3:	3:3:3:	B[3x6]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](B[3x6]C[6,6,6a]2C[6,6])(N[5]C[6a]C[5])2	N[5](C[5]B[3x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]B[3x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](B[3x6]C[6,6,6a]2C[6,6])(N[5]C[6a]C[5])2{1|C<4>,4|H<1>,8|C<3>}	N[5](C[5]B[3x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,3|C<4>,5|C<3>}	N[5](C[5]B[3x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,3|C<4>,5|C<3>}	103.8405	0.110	2	103.8405	0.012	2	103.9733	0.066	4	105.1108	1.188	21	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:3:	3:3:3:	B[3x6]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](B[3x6]C[6,6,6a]2O[6,6])(N[5]C[6a]C[5])2	N[5](C[5]B[3x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]B[3x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](B[3x6]C[6,6,6a]2O[6,6])(N[5]C[6a]C[5])2{1|O<2>,2|H<1>,8|C<3>}	N[5](C[5]B[3x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	N[5](C[5]B[3x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	104.1060	0.338	2	104.1060	0.114	2	103.9733	0.066	4	105.1108	1.188	21	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:3:	3:3:3:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](B[5]B[5]O[5]2)(N[5]C[6a]C[5])2	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](B[5]B[5]O[5]2)(N[5]C[6a]C[5])2{2|C<4>,2|H<1>,2|O<2>,4|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|B<3>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|B<3>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	104.3060	0.000	1	104.3060	0.000	1	104.6018	0.363	6	105.1108	1.188	21	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:3:	3:3:3:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](B[5]C[5,6a]2Br)(N[5]C[6a]C[5])2	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](B[5]C[5,6a]2Br)(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Br<1>,1|H<1>,2|C<4>,5|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Br<1>,1|H<1>,2|C<4>,5|C<3>}	103.8400	0.000	1	103.8400	0.000	1	104.6018	0.363	6	105.1108	1.188	21	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:3:	3:3:3:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](B[5]C[5,6a]2H)(N[5]C[6a]C[5])2	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](B[5]C[5,6a]2H)(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,5|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,5|C<3>}	104.3330	0.000	1	104.3330	0.000	1	104.6018	0.363	6	105.1108	1.188	21	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:3:	3:3:3:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](B[5]C[5]O[5]H)(N[5]C[6a]C[5])2	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](B[5]C[5]O[5]H)(N[5]C[6a]C[5])2{1|C<4>,3|H<1>,6|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	105.0440	0.494	3	105.0440	0.244	3	104.6018	0.363	6	105.1108	1.188	21	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:3:	3:3:3:	B[6,6]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](B[6,6]C[6,6]2H)(N[5]C[6a]C[5])2	N[5](C[5]B[6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]B[6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](B[6,6]C[6,6]2H)(N[5]C[6a]C[5])2{4|C<3>,4|C<4>,4|H<1>}	N[5](C[5]B[6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,3|C<3>,4|C<4>}	N[5](C[5]B[6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,3|C<3>,4|C<4>}	103.4860	0.000	1	103.4860	0.000	1	103.4860	0.000	1	105.1108	1.188	21	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:3:	3:3:3:	B[6]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](B[6]C[6,6a]2N)(N[5]C[6a]C[5])2	N[5](C[5]B[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]B[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](B[6]C[6,6a]2N)(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	N[5](C[5]B[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<2>,2|C<4>,5|C<3>}	N[5](C[5]B[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<2>,2|C<4>,5|C<3>}	104.2050	0.000	1	104.2050	0.000	1	104.2050	0.000	1	105.1108	1.188	21	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:3:	3:3:3:	C[5,6,6]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(N[5]C[6a]C[5])2	N[5](C[5]C[5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]C[5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(N[5]C[6a]C[5])2{10|C<3>,2|H<1>}	N[5](C[5]C[5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,6|C<3>}	N[5](C[5]C[5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,6|C<3>}	106.5010	0.000	1	106.5010	0.000	1	106.2534	0.017	8	105.1108	1.188	21	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:3:	3:3:3:	C[5,6,6]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,6,6]C[5,6,6a]2C[5a,6,6])(N[5]C[6a]C[5])2	N[5](C[5]C[5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]C[5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,6,6]C[5,6,6a]2C[5a,6,6])(N[5]C[6a]C[5])2{10|C<3>,2|H<1>}	N[5](C[5]C[5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,6|C<3>}	N[5](C[5]C[5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,6|C<3>}	106.2180	0.087	7	106.2180	0.008	7	106.2534	0.017	8	105.1108	1.188	21	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:3:	3:3:4:	B[6,6]-4:N[5]-3:N[5]-3:	C[5]-3:B[6,6]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](B[6,6]C[6,6]2I)(N[5]B[6,6]C[5])(N[5]C[5]C)	N[5](C[5]B[6,6]N[5])(B[6,6]C[6,6]2)(C[5]C[5]H)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	C[5](B[6,6]C[6,6]2I)(N[5]B[6,6]C[5])(N[5]C[5]C){4|H<1>,6|C<4>}	N[5](C[5]B[6,6]N[5])(B[6,6]C[6,6]2)(C[5]C[5]H){1|I<1>,3|H<1>,7|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|B<3>,1|H<1>,1|I<1>,2|C<4>}	106.2780	0.000	1	106.2780	0.000	1	106.2780	0.000	1	104.9780	3.380	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:3:	3:3:4:	B[6,6]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](B[6,6]C[6,6]2H)(N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]B[6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	C[5](B[6,6]C[6,6]2H)(N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,4|C<4>,4|H<1>}	N[5](C[5]B[6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<3>,3|C<4>,4|H<1>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	103.6780	0.000	1	103.6780	0.000	1	103.6780	0.000	1	104.9780	3.380	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](BC[5x3,5x5,20x6]HH)(N[5]C[5]C)2	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C[5](BC[5x3,5x5,20x6]HH)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	105.2385	0.607	2	105.2385	0.369	2	105.1160	0.144	4	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](BC[6a]Cl2)(N[5]C[5]C)2	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C[5](BC[6a]Cl2)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	105.0310	0.000	1	105.0310	0.000	1	105.1160	0.144	4	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](BC[6a]Cl2)(N[5]C[5]C)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](BC[6a]Cl2)(N[5]C[5]C)2{2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	104.9560	0.000	1	104.9560	0.000	1	105.1160	0.144	4	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[3,6]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[3,6]C[6,6a]B[3,6]P[3])(N[5]C[5]C)2	N[5](C[5]B[3,6]N[5])(C[5]C[5]H)(CCCH)	N[5](C[5]B[3,6]N[5])(C[5]C[5]H)(CCCH)	C[5](B[3,6]C[6,6a]B[3,6]P[3])(N[5]C[5]C)2{1|P<4>,3|H<1>,4|C<3>}	N[5](C[5]B[3,6]N[5])(C[5]C[5]H)(CCCH){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	N[5](C[5]B[3,6]N[5])(C[5]C[5]H)(CCCH){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	105.0720	0.000	1	105.0720	0.000	1	105.0720	0.000	1	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[3]B[3,6,6]C[5a]B[3])(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C[5](B[3]B[3,6,6]C[5a]B[3])(N[5]C[5]C)2{1|S<2>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|B<4>,1|B<5>,1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|B<4>,1|B<5>,1|C<3>,1|C<4>,1|H<1>}	103.0330	0.000	1	103.0330	0.000	1	104.8406	0.682	10	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[3]B[4x3,3x5,12x6]2H)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CCCH)	C[5](B[3]B[4x3,3x5,12x6]2H)(N[5]C[5]C)2{1|B<5>,1|C<5>,2|C<4>,2|H<1>,3|B<6>}	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CCCH){1|H<1>,2|B<6>,2|C<4>}	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CCCH){1|H<1>,2|B<6>,2|C<4>}	106.1670	0.000	1	106.1670	0.000	1	104.8406	0.682	10	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[3]C[3]2H)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CCCH)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CCCH)	C[5](B[3]C[3]2H)(N[5]C[5]C)2{2|C<3>,4|H<1>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CCCH){2|H<1>,3|C<4>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CCCH){2|H<1>,3|C<4>}	105.6590	0.000	1	105.6590	0.000	1	104.8406	0.682	10	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[3]C[3]N[3]C)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C[5](B[3]C[3]N[3]C)(N[5]C[5]C)2{1|Mn<8>,1|C<4>,2|H<1>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	104.4840	0.000	1	104.4840	0.000	1	104.8406	0.682	10	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CH3)	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CH3)	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CH3){1|C<3>,4|C<4>}	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CH3){1|C<3>,4|C<4>}	104.9530	0.000	1	104.9530	0.000	1	104.8406	0.682	10	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2{4|C<3>,4|H<1>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	105.2110	0.000	1	105.2110	0.000	1	104.8406	0.682	10	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]B[3]N[5])(C[5]C[5]Pt)(CH3)	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2{1|Pt<4>,3|H<1>,4|C<3>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|C<3>,3|C<4>}	N[5](C[5]B[3]N[5])(C[5]C[5]Pt)(CH3){1|C<3>,1|H<1>,3|C<4>}	104.5835	0.021	2	104.5835	0.000	2	104.8406	0.682	10	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[3]S[3]2C)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C[5](B[3]S[3]2C)(N[5]C[5]C)2{2|H<1>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<4>,2|S<2>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<4>,2|S<2>}	104.9940	0.000	1	104.9940	0.000	1	104.8406	0.682	10	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[3]Se[3]2C)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C[5](B[3]Se[3]2C)(N[5]C[5]C)2{2|H<1>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	104.7380	0.000	1	104.7380	0.000	1	104.8406	0.682	10	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[3a]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[3a]C[3a]2C[5])(N[5]C[5]C)2	N[5](C[5]B[3a]N[5])(C[5]C[5]C)(CH3)	N[5](C[5]B[3a]N[5])(C[5]C[5]C)(CH3)	C[5](B[3a]C[3a]2C[5])(N[5]C[5]C)2{2|Si<4>,2|C<4>,2|N<3>}	N[5](C[5]B[3a]N[5])(C[5]C[5]C)(CH3){2|C<4>,3|C<3>}	N[5](C[5]B[3a]N[5])(C[5]C[5]C)(CH3){2|C<4>,3|C<3>}	104.7725	0.484	2	104.7725	0.235	2	104.5391	0.133	8	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[3a]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[3a]C[3a]2C[5])(N[5]C[5]C)2	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	C[5](B[3a]C[3a]2C[5])(N[5]C[5]C)2{2|Si<4>,2|H<1>,2|N<3>}	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	104.7630	0.045	2	104.7630	0.002	2	104.5391	0.133	8	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[3a]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[3a]C[3a]2C[6a])(N[5]C[5]C)2	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	C[5](B[3a]C[3a]2C[6a])(N[5]C[5]C)2{2|H<1>,4|C<3>}	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	104.6630	0.000	1	104.6630	0.000	1	104.5391	0.133	8	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[3a]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[3a]C[3a]2N)(N[5]C[5]C)2	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	C[5](B[3a]C[3a]2N)(N[5]C[5]C)2{1|B<3>,1|C<3>,2|H<1>}	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	104.4580	0.000	1	104.1930	0.055	3	104.5391	0.133	8	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[3a]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[3a]C[3a]2N)(N[5]C[5]C)2	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	C[5](B[3a]C[3a]2N)(N[5]C[5]C)2{1|Si<4>,1|B<3>,2|H<1>}	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	104.0120	0.000	1	104.1930	0.055	3	104.5391	0.133	8	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[3a]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[3a]C[3a]2N)(N[5]C[5]C)2	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	C[5](B[3a]C[3a]2N)(N[5]C[5]C)2{2|B<3>,2|H<1>}	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	104.1090	0.000	1	104.1930	0.055	3	104.5391	0.133	8	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[4]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[4]S[4]2C)(N[5]C[5]C)2	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	C[5](B[4]S[4]2C)(N[5]C[5]C)2{1|B<4>,2|H<1>}	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<4>,2|S<2>}	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<4>,2|S<2>}	104.5740	0.000	1	104.5740	0.000	1	104.6192	0.377	5	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[4]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[4]Se[4]2C)(N[5]C[5]C)2	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	C[5](B[4]Se[4]2C)(N[5]C[5]C)2{1|B<3>,2|H<1>}	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	104.7185	0.715	2	104.6305	0.501	4	104.6192	0.377	5	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[4]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[4]Se[4]2C)(N[5]C[5]C)2	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	C[5](B[4]Se[4]2C)(N[5]C[5]C)2{1|B<4>,2|H<1>}	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	104.5425	0.981	2	104.6305	0.501	4	104.6192	0.377	5	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[5,5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[5,5]C[5,5,6]2C[6a])(N[5]C[5]C)2	N[5](C[5]B[5,5]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]B[5,5]N[5])(C[5]C[5]H)(CH3)	C[5](B[5,5]C[5,5,6]2C[6a])(N[5]C[5]C)2{2|H<1>,8|C<3>}	N[5](C[5]B[5,5]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	N[5](C[5]B[5,5]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	103.7530	0.000	1	103.7530	0.000	1	103.7530	0.000	1	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[5]-4:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](B[5]C[5]O[5]H)(N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5])(CH3)	C[5](B[5]C[5]O[5]H)(N[5]C[5,6a]C)2{1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5])(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5])(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[5]C[5]O[5]H)(N[5]C[5]C)2	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	C[5](B[5]C[5]O[5]H)(N[5]C[5]C)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|O<2>,2|C<4>,2|H<1>}	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|O<2>,2|C<4>,2|H<1>}	105.3445	0.561	2	105.3445	0.314	2	105.4119	0.137	8	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[5]C[6]O[5]2)(N[5]C[5]C)2	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	C[5](B[5]C[6]O[5]2)(N[5]C[5]C)2{1|B<4>,1|N<3>,2|C<4>,2|H<1>}	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	105.1575	0.559	2	105.1575	0.313	2	105.4119	0.137	8	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[5]O[5]2C)(N[5]C[5]C)2	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH)	C[5](B[5]O[5]2C)(N[5]C[5]C)2{4|C<4>}	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH){1|C<3>,2|C<4>,2|O<2>}	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH){1|C<3>,2|C<4>,2|O<2>}	105.7560	0.000	1	105.7560	0.000	1	105.4119	0.137	8	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[5]O[5]2F)(N[5]C[5]C)2	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCHH)	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCHH)	C[5](B[5]O[5]2F)(N[5]C[5]C)2{2|C<4>,2|H<1>}	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|F<1>,1|H<1>,2|O<2>}	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|F<1>,1|H<1>,2|O<2>}	105.3390	0.000	1	105.3390	0.000	1	105.4119	0.137	8	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[5]O[5]2O)(N[5]C[5]C)2	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	C[5](B[5]O[5]2O)(N[5]C[5]C)2{2|C<4>,2|H<1>}	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,3|O<2>}	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,3|O<2>}	105.5980	0.048	2	105.5980	0.002	2	105.4119	0.137	8	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](B[5]B[5]C[5]H)(N[5]C[6a]C[5])2	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](B[5]B[5]C[5]H)(N[5]C[6a]C[5])2{6|H<1>,7|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<3>,3|C<3>,3|C<4>,3|H<1>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<3>,3|C<3>,3|C<4>,3|H<1>}	107.8510	0.000	1	107.8510	0.000	1	107.8510	0.000	1	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[5a]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](B[5a]B[5a]O[5a]2)(N[5]C[6a]C[5])2	N[5](C[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](C[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](B[5a]B[5a]O[5a]2)(N[5]C[6a]C[5])2{2|O<2>,4|H<1>,6|C<3>}	N[5](C[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<3>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	N[5](C[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<3>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	109.0655	0.155	2	109.0655	0.024	2	109.0655	0.024	2	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[6,6]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[6,6]C[6,6]2C[5])(N[5]C[5]C)2	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	C[5](B[6,6]C[6,6]2C[5])(N[5]C[5]C)2{2|Cl<1>,2|H<1>,2|N<3>,4|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,1|C<3>,3|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,1|C<3>,3|C<4>}	104.0180	0.133	2	104.0180	0.018	2	104.0747	0.079	10	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[6,6]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2	N[5](C[5]B[6,6]N[5])(C[5]C[5]C)(CH3)	N[5](C[5]B[6,6]N[5])(C[5]C[5]C)(CH3)	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2{2|H<1>,6|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	103.7550	0.076	2	103.7550	0.006	2	104.0747	0.079	10	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[6,6]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2{2|Cl<1>,2|H<1>,4|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,1|H<1>,3|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,1|H<1>,3|C<4>}	104.6320	0.000	1	104.6320	0.000	1	104.0747	0.079	10	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[6,6]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCCH)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCCH)	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2{4|C<4>,4|H<1>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCCH){2|H<1>,3|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCCH){2|H<1>,3|C<4>}	103.9455	0.124	2	103.9455	0.015	2	104.0747	0.079	10	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[6,6]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCCH)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCHH)	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2{4|C<4>,4|H<1>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCCH){2|H<1>,3|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCHH){2|H<1>,3|C<4>}	104.2380	0.218	2	104.2380	0.047	2	104.0747	0.079	10	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	B[6,6]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2{4|C<4>,4|H<1>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){2|H<1>,3|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){2|H<1>,3|C<4>}	104.2020	0.000	1	104.2020	0.000	1	104.0747	0.079	10	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	C-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5](CC[6a]RuH)(N[5]C[5]C)(N[5]C[5]P)	N[5](C[5]C[5]H)(C[5]N[5]C)(PRuCC)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](CC[6a]RuH)(N[5]C[5]C)(N[5]C[5]P){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(PRuCC){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|H<1>,1|P<4>}	106.5960	0.000	1	106.5960	0.000	1	106.5960	0.000	1	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	C[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[3]C[3,5]N[3,5]H)(N[5]C[5]C)2	N[5](C[5]C[3]N[5])(C[5]C[5]C)(CH3)	N[5](C[5]C[3]N[5])(C[5]C[5]C)(CH3)	C[5](C[3]C[3,5]N[3,5]H)(N[5]C[5]C)2{1|H<1>,5|C<4>}	N[5](C[5]C[3]N[5])(C[5]C[5]C)(CH3){1|H<1>,1|N<4>,3|C<4>}	N[5](C[5]C[3]N[5])(C[5]C[5]C)(CH3){1|H<1>,1|N<4>,3|C<4>}	107.3140	0.000	1	107.9863	0.359	3	107.9863	0.359	3	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	C[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[3]C[3,5]N[3,5]H)(N[5]C[5]C)2	N[5](C[5]C[3]N[5])(C[5]C[5]C)(CH3)	N[5](C[5]C[3]N[5])(C[5]C[5]C)(CH3)	C[5](C[3]C[3,5]N[3,5]H)(N[5]C[5]C)2{2|H<1>,4|C<4>}	N[5](C[5]C[3]N[5])(C[5]C[5]C)(CH3){1|H<1>,1|N<4>,3|C<4>}	N[5](C[5]C[3]N[5])(C[5]C[5]C)(CH3){1|H<1>,1|N<4>,3|C<4>}	108.3225	0.202	2	107.9863	0.359	3	107.9863	0.359	3	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	C[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]B[5]C[5]C)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]B[5]C[5]C)(N[5]C[5]C)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,3|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,3|C<4>}	104.7710	0.000	1	104.7710	0.000	1	106.2930	0.790	6	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	C[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]2Fe)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[5]2Fe)(N[5]C[5]C)2{2|C<4>,4|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|Fe<10>,1|H<1>,3|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|Fe<10>,1|H<1>,3|C<4>}	106.0315	0.141	2	106.0315	0.020	2	106.2930	0.790	6	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	C[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)2{7|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH){1|H<1>,1|N<3>,3|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|H<1>,1|N<3>,3|C<4>}	106.8690	0.127	2	106.8690	0.016	2	106.2930	0.790	6	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	C[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)2{7|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|H<1>,1|N<3>,3|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|H<1>,1|N<3>,3|C<4>}	107.1860	0.000	1	107.1860	0.000	1	106.2930	0.790	6	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	Ga-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](GaC[5]Cl2)(N[5]C[5]C)2	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	C[5](GaC[5]Cl2)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	105.8940	0.000	1	105.8940	0.000	1	105.7778	0.016	5	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	Ga-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](GaC[5]ClH)(N[5]C[5]C)2	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	C[5](GaC[5]ClH)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	105.6740	0.085	2	105.6740	0.007	2	105.7778	0.016	5	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	Ga-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](GaC[6a]Cl2)(N[5]C[5]C)2	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	C[5](GaC[6a]Cl2)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	105.8235	0.129	2	105.8235	0.017	2	105.7778	0.016	5	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	Ga[4]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Ga[4]P[4]2H)(N[5]C[5]C)2	N[5](C[5]Ga[4]N[5])(C[5]C[5]H)(CCCH)	N[5](C[5]Ga[4]N[5])(C[5]C[5]H)(CCCH)	C[5](Ga[4]P[4]2H)(N[5]C[5]C)2{1|Ga<4>,2|Si<4>,2|H<1>}	N[5](C[5]Ga[4]N[5])(C[5]C[5]H)(CCCH){1|C<4>,2|H<1>,2|P<3>}	N[5](C[5]Ga[4]N[5])(C[5]C[5]H)(CCCH){1|C<4>,2|H<1>,2|P<3>}	104.7920	0.304	2	104.7920	0.092	2	104.7920	0.092	2	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	Ga[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Ga[5]N[5]2P)(N[5]C[5]C)2	N[5](C[5]Ga[5]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]Ga[5]N[5])(C[5]C[5]C)(CCCH)	C[5](Ga[5]N[5]2P)(N[5]C[5]C)2{2|C<4>,4|C<3>}	N[5](C[5]Ga[5]N[5])(C[5]C[5]C)(CCCH){1|P<2>,2|C<4>,2|N<3>}	N[5](C[5]Ga[5]N[5])(C[5]C[5]C)(CCCH){1|P<2>,2|C<4>,2|N<3>}	105.6680	0.000	1	105.6680	0.000	1	105.6680	0.000	1	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	Ge-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](GeC[6a]2C)(N[5]C[5]C)2	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C[5](GeC[6a]2C)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	106.1575	0.063	2	106.1575	0.004	2	106.1575	0.004	2	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	Ge[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Ge[3]Ge[3]S[3]Fe)(N[5]C[5]C)2	N[5](C[5]Ge[3]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]Ge[3]N[5])(C[5]C[5]C)(CCCH)	C[5](Ge[3]Ge[3]S[3]Fe)(N[5]C[5]C)2{1|Fe<5>,1|C<3>,2|C<4>}	N[5](C[5]Ge[3]N[5])(C[5]C[5]C)(CCCH){1|Fe<5>,1|Ge<4>,1|S<2>,2|C<4>}	N[5](C[5]Ge[3]N[5])(C[5]C[5]C)(CCCH){1|Fe<5>,1|Ge<4>,1|S<2>,2|C<4>}	106.3590	1.356	2	106.3590	1.839	2	106.3590	1.839	2	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	Ge[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Ge[5]C[5]2Cl)(N[5]C[5]C)2	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH)	C[5](Ge[5]C[5]2Cl)(N[5]C[5]C)2{2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH){1|Cl<1>,4|C<4>}	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH){1|Cl<1>,4|C<4>}	108.0250	0.000	1	108.0250	0.000	1	108.0250	0.000	1	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	Ge[6]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Ge[6]N[6]2O)(N[5]C[5]C)2	N[5](C[5]Ge[6]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]Ge[6]N[5])(C[5]C[5]C)(CCCH)	C[5](Ge[6]N[6]2O)(N[5]C[5]C)2{2|C<4>,4|C<3>}	N[5](C[5]Ge[6]N[5])(C[5]C[5]C)(CCCH){1|O<1>,2|C<4>,2|N<3>}	N[5](C[5]Ge[6]N[5])(C[5]C[5]C)(CCCH){1|O<1>,2|C<4>,2|N<3>}	106.0375	0.136	2	106.0375	0.019	2	106.0375	0.019	2	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	P-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](PC[6a]2Rh)(N[5]C[5]C)2	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C[5](PC[6a]2Rh)(N[5]C[5]C)2{2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	106.9767	0.445	3	106.9767	0.198	3	106.9767	0.198	3	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	Si-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](SiC[6a]C[5]Ag)(N[5]C[5]C)2	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C[5](SiC[6a]C[5]Ag)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	104.6525	0.260	2	104.6525	0.067	2	104.8051	0.129	11	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	Si-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](SiC[6a]C[5]Cu)(N[5]C[5]C)2	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C[5](SiC[6a]C[5]Cu)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	104.7200	0.426	2	104.7200	0.181	2	104.8051	0.129	11	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	Si-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](SiC[6a]C[5]Se)(N[5]C[5]C)2	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C[5](SiC[6a]C[5]Se)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	105.0575	0.241	4	105.0575	0.058	4	104.8051	0.129	11	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	Si-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](SiC[6a]C[5]Te)(N[5]C[5]C)2	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C[5](SiC[6a]C[5]Te)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	104.8910	0.199	2	104.8910	0.040	2	104.8051	0.129	11	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	Si-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](SiC[6a]MnH)(N[5]C[5]C)2	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C[5](SiC[6a]MnH)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	104.0990	0.000	1	104.0990	0.000	1	104.8051	0.129	11	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	Si[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Si[3]C[3]2C)(N[5]C[5]C)2	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	C[5](Si[3]C[3]2C)(N[5]C[5]C)2{2|C<3>,2|C<4>}	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){2|C<4>,3|C<3>}	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){2|C<4>,3|C<3>}	106.4490	0.000	1	106.4490	0.000	1	106.3350	0.026	2	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	Si[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Si[3]C[3]N[3]N)(N[5]C[5]C)2	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	C[5](Si[3]C[3]N[3]N)(N[5]C[5]C)2{1|Si<4>,2|C<3>,2|C<4>}	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){1|N<2>,1|N<3>,3|C<4>}	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){1|N<2>,1|N<3>,3|C<4>}	106.2210	0.000	1	106.2210	0.000	1	106.3350	0.026	2	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	Si[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Si[5]C[5x3,6x5,20x6]N[5]B)(N[5]C[5]C)2	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	C[5](Si[5]C[5x3,6x5,20x6]N[5]B)(N[5]C[5]C)2{1|C<3>,1|C<6>,3|C<4>,4|B<6>}	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|B<4>,1|C<6>,1|N<3>,2|C<4>}	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|B<4>,1|C<6>,1|N<3>,2|C<4>}	105.4960	0.000	1	105.4960	0.000	1	105.7355	0.115	2	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:3:4:	3:3:4:	Si[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Si[5]N[5]2As)(N[5]C[5]C)2	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	C[5](Si[5]N[5]2As)(N[5]C[5]C)2{2|C<3>,4|C<4>}	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|As<2>,2|C<4>,2|N<3>}	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|As<2>,2|C<4>,2|N<3>}	105.9750	0.000	1	105.9750	0.000	1	105.7355	0.115	2	105.4284	1.523	94	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:4:1:	3:4:1:	C[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]O[5]C)(N[5]C[5]H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5]O[5]C)(N[5]C[5]H)2{2|C<3>,6|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	108.8530	0.000	1	108.8530	0.000	1	108.8530	0.000	1	110.2278	2.705	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:4:1:	3:4:1:	C[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]N[5]H)(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]N[5]H)(N[5]C[5]O)2{1|C<3>,2|H<1>,6|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	109.7653	0.574	3	109.7653	0.329	3	109.7653	0.329	3	110.2278	2.705	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:4:1:	3:4:1:	C[6]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[6]C[6]O[6]H)(N[5]C[5]H)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	C[5](C[6]C[6]O[6]H)(N[5]C[5]H)2{1|C<3>,1|O<2>,6|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,4|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,4|H<1>}	112.9900	0.000	1	112.9900	0.000	1	112.9900	0.000	1	110.2278	2.705	5	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	3:4:3:	3:4:3:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[6]-4:C[5]-3:	C[5]-3:C[6]-4:C[5]-3:	C[5](B[5]B[5]O[5]2)(N[5]C[5]C[6])2	N[5](C[5]B[5]N[5])(C[6]C[6]2H)(C[5]C[5]H)	N[5](C[5]B[5]N[5])(C[6]C[6]2H)(C[5]C[5]H)	C[5](B[5]B[5]O[5]2)(N[5]C[5]C[6])2{2|O<2>,4|H<1>,6|C<4>}	N[5](C[5]B[5]N[5])(C[6]C[6]2H)(C[5]C[5]H){1|B<3>,2|O<2>,3|C<4>,5|H<1>}	N[5](C[5]B[5]N[5])(C[6]C[6]2H)(C[5]C[5]H){1|B<3>,2|O<2>,3|C<4>,5|H<1>}	105.1780	0.000	1	105.1780	0.000	1	105.1780	0.000	1	105.1780	0.000	1	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	4:3:1:	4:3:1:	C-4:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](CC[6a]C[5]N)(N[5]C[5]O)2	N[5](C[5]C[5]CC)(C[5]N[5]C)(O)	N[5](C[5]C[5]CC)(C[5]N[5]C)(O)	C[5](CC[6a]C[5]N)(N[5]C[5]O)2{4|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]C)(O){1|O<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]C)(O){1|O<1>,2|C<4>}	109.4490	0.704	2	109.4490	0.496	2	109.4490	0.496	2	109.4490	0.496	2	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	4:3:4:	4:3:4:	P-4:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](PC[6a]2Pt)(N[5]C[5]C)2	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C[5](PC[6a]2Pt)(N[5]C[5]C)2{4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	112.4720	0.000	1	112.4720	0.000	1	112.4220	0.319	7	112.4220	0.319	7	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	4:3:4:	4:3:4:	P-4:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](PC[6a]C[5]Pt)(N[5]C[5]C)2	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C[5](PC[6a]C[5]Pt)(N[5]C[5]C)2{4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	112.9295	0.779	2	112.9295	0.606	2	112.4220	0.319	7	112.4220	0.319	7	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	4:3:3:	4:3:4:	4:3:4:	P-4:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](PC[6a]C[5]Rh)(N[5]C[5]C)2	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C[5](PC[6a]C[5]Rh)(N[5]C[5]C)2{4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	112.1557	0.412	4	112.1557	0.170	4	112.4220	0.319	7	112.4220	0.319	7	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	5:3:3:	3:3:3:	3:3:3:	B[3,3,5,5,6x6]-5:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](B[3,3,5,5,6x6]B[4x3,5x5,18x6]2B[5x3,3x5,12x6]H)(N[5]C[6a]C[5])2	N[5](C[5]B[3,3,5,5,6x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]B[3,3,5,5,6x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](B[3,3,5,5,6x6]B[4x3,5x5,18x6]2B[5x3,3x5,12x6]H)(N[5]C[6a]C[5])2{2|C<5>,4|B<6>,4|C<3>,5|H<1>}	N[5](C[5]B[3,3,5,5,6x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,3|B<6>,3|C<3>}	N[5](C[5]B[3,3,5,5,6x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,3|B<6>,3|C<3>}	105.1425	0.088	2	105.1425	0.008	2	105.1425	0.008	2	105.2750	0.238	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	5:3:3:	3:3:3:	3:3:3:	B[3,3,5,6,6]-5:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](B[3,3,5,6,6]B[4x3,3x5,12x6]B[3x3,5,4x6]B[5x3,5,7x6]H)(N[5]C[6a]C[5])2	N[5](C[5]B[3,3,5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]B[3,3,5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](B[3,3,5,6,6]B[4x3,3x5,12x6]B[3x3,5,4x6]B[5x3,5,7x6]H)(N[5]C[6a]C[5])2{1|B<5>,1|B<7>,1|C<5>,2|B<6>,4|C<3>,5|H<1>}	N[5](C[5]B[3,3,5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|B<5>,2|B<6>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]B[3,3,5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|B<5>,2|B<6>,2|C<4>,2|H<1>,3|C<3>}	104.8440	0.000	1	104.8440	0.000	1	104.8440	0.000	1	105.2750	0.238	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	5:3:3:	3:3:3:	3:3:3:	Ge[5,5]-5:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](Ge[5,5]O[5]4)(N[5]C[5]C)2	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]H)(CC[6a]N)	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]H)(CC[6a]N)	C[5](Ge[5,5]O[5]4)(N[5]C[5]C)2{2|H<1>,4|C<3>}	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]H)(CC[6a]N){1|C<3>,1|H<1>,4|O<2>}	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]H)(CC[6a]N){1|C<3>,1|H<1>,4|O<2>}	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1	105.2750	0.238	4	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	5:3:3:	3:3:4:	3:3:4:	B-5:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](BC[5]NiCH)(N[5]C[5]C)2	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C[5](BC[5]NiCH)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	105.8975	0.706	2	105.8975	0.499	2	105.8975	0.499	2	106.1585	1.846	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	5:3:3:	3:3:4:	3:3:4:	B[3,3,5,6,6]-5:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](B[3,3,5,6,6]B[4x3,3x5,12x6]B[3x3,5,4x6]B[5x3,5,7x6]H)(N[5]C[6a]C[5])2	N[5](C[5]B[3,3,5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](C[5]B[3,3,5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](B[3,3,5,6,6]B[4x3,3x5,12x6]B[3x3,5,4x6]B[5x3,5,7x6]H)(N[5]C[6a]C[5])2{1|B<5>,1|B<7>,1|C<5>,2|B<6>,4|C<3>,7|H<1>}	N[5](C[5]B[3,3,5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<5>,2|B<6>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[5]B[3,3,5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<5>,2|B<6>,2|C<4>,3|C<3>,3|H<1>}	109.1660	0.000	1	109.1660	0.000	1	109.1660	0.000	1	106.1585	1.846	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	5:3:3:	3:3:4:	3:3:4:	B[3,3]-5:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[3,3]B[3,3]H[3]2H)(N[5]C[5]C)2	N[5](C[5]B[3,3]N[5])(C[5]C[5]C)(CH3)	N[5](C[5]B[3,3]N[5])(C[5]C[5]C)(CH3)	C[5](B[3,3]B[3,3]H[3]2H)(N[5]C[5]C)2{1|C<3>,1|H<1>,2|C<4>}	N[5](C[5]B[3,3]N[5])(C[5]C[5]C)(CH3){1|B<5>,1|H<1>,2|C<4>,2|H<2>}	N[5](C[5]B[3,3]N[5])(C[5]C[5]C)(CH3){1|B<5>,1|H<1>,2|C<4>,2|H<2>}	106.1130	0.000	1	106.1130	0.000	1	106.1130	0.000	1	106.1585	1.846	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	5:3:3:	3:3:4:	3:3:4:	B[3]-5:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](B[3]B[3,6,6]B[3]HH)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C[5](B[3]B[3,6,6]B[3]HH)(N[5]C[5]C)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<4>,2|B<4>,3|H<1>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<4>,2|B<4>,3|H<1>}	104.4760	0.000	1	104.4760	0.000	1	104.4760	0.000	1	106.1585	1.846	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	5:3:3:	3:3:4:	3:3:4:	Ge[5,5]-5:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Ge[5,5]S[5]4)(N[5]C[5]C)2	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]C)(CCCH)	C[5](Ge[5,5]S[5]4)(N[5]C[5]C)2{2|C<4>,4|C<3>}	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]C)(CCCH){2|C<4>,4|S<2>}	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]C)(CCCH){2|C<4>,4|S<2>}	107.2180	0.000	1	107.2180	0.000	1	107.2180	0.000	1	106.1585	1.846	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	5:3:3:	3:3:4:	3:3:4:	Ge[5]-5:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Ge[5]O[5]2Cl2)(N[5]C[5]C)2	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH)	C[5](Ge[5]O[5]2Cl2)(N[5]C[5]C)2{2|C<3>,2|C<4>}	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH){2|Cl<1>,2|C<4>,2|O<2>}	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH){2|Cl<1>,2|C<4>,2|O<2>}	107.4100	0.000	1	107.4100	0.000	1	107.4100	0.000	1	106.1585	1.846	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	5:3:3:	3:3:4:	3:3:4:	In-5:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](InC[5]Br3)(N[5]C[5]C)2	N[5](C[5]N[5]In)(C[5]C[5]H)(CCHH)	N[5](C[5]N[5]In)(C[5]C[5]H)(CC3)	C[5](InC[5]Br3)(N[5]C[5]C)2{2|H<1>}	N[5](C[5]N[5]In)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]N[5]In)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	105.4915	0.472	2	105.4915	0.222	2	105.4915	0.222	2	106.1585	1.846	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	5:3:3:	3:3:4:	3:3:4:	Si[3,5]-5:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Si[3,5]C[5x3,6x5,20x6]C[3]2N[5])(N[5]C[5]C)2	N[5](C[5]Si[3,5]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]Si[3,5]N[5])(C[5]C[5]C)(CCCH)	C[5](Si[3,5]C[5x3,6x5,20x6]C[3]2N[5])(N[5]C[5]C)2{1|C<6>,3|C<3>,3|C<4>,4|B<6>}	N[5](C[5]Si[3,5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[5]Si[3,5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<3>,2|C<4>}	105.8580	0.000	1	105.8580	0.000	1	105.8580	0.000	1	106.1585	1.846	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP2	C[5]	N[5]	N[5]	5:3:3:	3:3:4:	3:3:4:	Si[3,6]-5:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Si[3,6]N[6]2O[3]2)(N[5]C[5]C)2	N[5](C[5]Si[3,6]N[5])(C[5]C[5]C)(CCCH)	N[5](C[5]Si[3,6]N[5])(C[5]C[5]C)(CCCH)	C[5](Si[3,6]N[6]2O[3]2)(N[5]C[5]C)2{2|C<4>,4|C<3>}	N[5](C[5]Si[3,6]N[5])(C[5]C[5]C)(CCCH){2|C<4>,2|N<3>,2|O<2>}	N[5](C[5]Si[3,6]N[5])(C[5]C[5]C)(CCCH){2|C<4>,2|N<3>,2|O<2>}	104.7240	0.000	1	104.7240	0.000	1	104.7240	0.000	1	106.1585	1.846	11	107.8553	4.346	7139	107.8627	4.491	7409
818	542	542	5:SP2_SP2_SP3	C[5,5]	N[5,5]	N[5]	3:3:3:	3:4:4:	3:4:4:	N[5,5]-3:C[5]-3:N[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:	C[5,5]-3:C[5]-4:C-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]N)(N[5]C[5]C)	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CO)(C[5]C[5]HH)	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]N)(N[5]C[5]C){1|C<4>,2|O<2>,5|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CO)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	110.2170	0.561	2	110.2170	0.315	2	110.2170	0.315	2	110.2170	0.315	2	110.2170	0.315	2	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5,5]	N[5]	N[5,5]	3:3:2:	3:4:1:	3:4:4:	N[5,5]-3:N[5]-3:N[5]-2:	C[5,5]-3:C[5]-4:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(N[5]C[5]H)(N[5]C[5])	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	C[5,5](N[5,5]C[5]2)(N[5]C[5]H)(N[5]C[5]){8|H<1>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H){2|C<4>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{5|H<1>}	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	112.4575	9.728	2	112.6287	4.613	4	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5,5]	N[5]	N[5,5]	3:3:2:	3:4:1:	3:4:4:	N[5,5]-3:N[5]-3:S[5]-2:	C[5,5]-3:C[5]-4:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(N[5]C[5]H)(S[5]C[5])	N[5](C[5,5]N[5,5]S[5])(C[5]C[6a]C[5]H)(H)	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]HH)2	C[5,5](N[5,5]C[5]2)(N[5]C[5]H)(S[5]C[5]){1|C<3>,7|H<1>}	N[5](C[5,5]N[5,5]S[5])(C[5]C[6a]C[5]H)(H){2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]HH)2{1|C<3>,4|H<1>}	114.6630	0.000	1	114.6630	0.000	1	114.6630	0.000	1	112.4575	9.728	2	112.6287	4.613	4	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5,5]	N[5]	N[5,5]	3:3:3:	3:4:1:	3:4:4:	N[5,5]-3:N[5]-3:N[5]-3:	C[5,5]-3:C[5]-4:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(N[5]C[5]H)2	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H)	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	C[5,5](N[5,5]C[5]2)(N[5]C[5]H)2{2|C<4>,6|H<1>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H){2|C<4>,3|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	112.8000	1.998	2	112.8000	3.993	2	112.8000	3.993	2	112.8000	3.993	2	112.6287	4.613	4	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5,6,6]	N[5,6]	N[5,6]	3:3:4:	3:4:4:	3:4:4:	N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-3:C[5]-4:C[6]-4:	C[5,6,6](N[5,6]C[5]C[6])2(C[6,6]C[6]2H)	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO)	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO)	C[5,6,6](N[5,6]C[5]C[6])2(C[6,6]C[6]2H){2|O<2>,4|C<4>,8|H<1>}	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO){3|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO){3|C<4>,5|H<1>}	112.5200	0.000	1	112.5200	0.000	1	112.5200	0.000	1	112.5200	0.000	1	112.5200	0.000	1	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5,6]	N[5,5,6]	N[5]	3:3:3:	4:3:4:	3:4:1:	N[5,5,6]-3:N[5]-3:N[6]-3:	C[5,6]-4:C[5,6]-3:C[5,5]-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,5,6]C[5,5]C[5,6])(N[5]C[5]H)(N[6]C[6]H)	N[5,5,6](C[5,6]C[5]C[6]O)(C[5,6]N[5]N[6])(C[5,5]C[5]2H)	N[5](C[5,6]N[5,5,6]N[6])(C[5]C[5,5]HH)(H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(N[5]C[5]H)(N[6]C[6]H){1|O<2>,3|H<1>,5|C<4>}	N[5,5,6](C[5,6]C[5]C[6]O)(C[5,6]N[5]N[6])(C[5,5]C[5]2H){1|C<3>,1|C<4>,9|H<1>}	N[5](C[5,6]N[5,5,6]N[6])(C[5]C[5,5]HH)(H){2|H<1>,3|C<4>}	111.9450	0.000	1	111.9450	0.000	1	111.9450	0.000	1	111.9450	0.000	1	111.9450	0.000	1	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5,6]	N[5,6]	N[5]	3:3:2:	4:3:4:	3:4:4:	N[5,6]-3:N[5]-3:N[6]-2:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](N[5,6]C[6,6]C[5])(N[5]C[5]C)(N[6]C[6])	N[5,6](C[6,6]C[6,6a]2N[6])(C[5,6]N[5]N[6])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CH3)	C[5,6](N[5,6]C[6,6]C[5])(N[5]C[5]C)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	N[5,6](C[6,6]C[6,6a]2N[6])(C[5,6]N[5]N[6])(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	110.2070	0.000	1	110.2070	0.000	1	110.2070	0.000	1	110.2070	0.000	1	109.1732	4.320	14	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5,6]	N[5,6]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5,6]-3:C[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C[3x6]-4:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3)	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C){1|H<1>,3|C<4>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H){2|C<4>,2|N<3>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	106.2850	0.327	4	106.2850	0.107	4	106.2850	0.107	4	106.2850	0.107	4	109.1732	4.320	14	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5,6]	N[5,6]	N[5]	3:3:3:	3:4:4:	3:4:4:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|C<4>,1|O<2>,7|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO){1|N<3>,2|C<4>,4|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH){1|N<3>,2|C<4>,2|H<1>}	110.3670	0.000	1	110.3670	0.000	1	110.4950	0.096	3	110.4950	0.096	3	109.1732	4.320	14	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5,6]	N[5,6]	N[5]	3:3:3:	3:4:4:	3:4:4:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|N<3>,8|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH){1|N<3>,2|H<1>,3|C<4>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[5]HH){1|N<3>,2|C<4>,2|H<1>}	110.5590	0.410	2	110.5590	0.168	2	110.4950	0.096	3	110.4950	0.096	3	109.1732	4.320	14	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5,6]	N[5,6]	N[5]	3:3:3:	4:3:4:	3:4:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6]N)(N[5]C[5]H)	N[5,6](C[6,6]C[5,6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6]N)(N[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	N[5,6](C[6,6]C[5,6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(H){1|N<3>,2|C<4>,2|H<1>}	110.6670	0.000	1	110.6670	0.000	1	110.6670	0.000	1	109.9350	0.403	3	109.1732	4.320	14	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5,6]	N[5,6]	N[5]	3:3:3:	4:3:4:	3:4:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,2|C<3>,6|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,2|C<3>,3|C<2>,3|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<2>,2|C<4>,2|H<1>}	109.5300	0.000	1	109.5300	0.000	1	109.5690	0.003	2	109.9350	0.403	3	109.1732	4.320	14	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5,6]	N[5,6]	N[5]	3:3:3:	4:3:4:	3:4:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|H<1>}	109.6080	0.000	1	109.6080	0.000	1	109.5690	0.003	2	109.9350	0.403	3	109.1732	4.320	14	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5,6]	N[5,6]	N[5]	3:3:3:	4:3:4:	3:4:4:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|N<3>,2|C<4>,6|H<1>}	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){2|N<3>,3|C<4>,4|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	111.4565	2.906	2	109.1732	4.320	14	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5,6]	N[5,6]	N[5]	3:3:3:	4:3:4:	3:4:4:	N[5,6]-3:N[5,6]-3:N[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](N[5,6]C[5,6]C[5])(N[5,6]C[6,6]C[5])(N[5]C[5]C)	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]2)(C[5]C[5]HH)(CH3)	C[5,6](N[5,6]C[5,6]C[5])(N[5,6]C[6,6]C[5])(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,7|H<1>}	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]2)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	112.6620	0.000	1	112.6620	0.000	1	112.6620	0.000	1	111.4565	2.906	2	109.1732	4.320	14	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5,6]	N[5,6]	N[5]	3:3:3:	4:4:3:	3:4:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5]-4:C[6]-4:C[5,6]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])	N[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]H){1|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	108.8750	0.000	1	108.8750	0.000	1	108.8750	0.000	1	108.8750	0.000	1	109.1732	4.320	14	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,5]	N[5]	3:3:1:	3:4:3:	4:3:4:	N[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5,5]C[5,6a]C[5,5])(N[5]C[5]C)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H)	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(CC[6a]CH)	C[5](N[5,5]C[5,6a]C[5,5])(N[5]C[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	113.7670	0.000	1	113.7670	0.000	1	113.7670	0.000	1	110.6015	9.917	4	109.2528	10.319	13	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,5]	N[5]	3:3:1:	3:4:3:	4:3:4:	N[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5]-4:C[5]-3:C[6]-4:	C[5](N[5,5]C[5,6a]C[5,5])(N[5]C[5]C[6])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H)	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(C[6]C[6]2H)	C[5](N[5,5]C[5,6a]C[5,5])(N[5]C[5]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	112.8520	0.000	1	112.8520	0.000	1	112.8520	0.000	1	110.6015	9.917	4	109.2528	10.319	13	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,5]	N[5]	3:3:1:	3:4:3:	4:3:4:	N[5,5]-3:N[5]-3:O-1:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5,5]C[5,6a]C[3x5])(N[5]C[5,5]C)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O)	N[5](C[5,5]C[3x5]C[5,5]H)(C[5]N[5,5]O)(CC[6a]HH)	C[5](N[5,5]C[5,6a]C[3x5])(N[5]C[5,5]C)(O){1|H<1>,2|C<4>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[5,5]C[3x5]C[5,5]H)(C[5]N[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	107.8900	0.000	1	107.8900	0.000	1	107.8935	0.000	2	110.6015	9.917	4	109.2528	10.319	13	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,5]	N[5]	3:3:1:	3:4:3:	4:3:4:	N[5,5]-3:N[5]-3:O-1:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5,5]C[5,6a]C[3x5])(N[5]C[5,5]C)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O)	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH)	C[5](N[5,5]C[5,6a]C[3x5])(N[5]C[5,5]C)(O){1|H<1>,2|C<4>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	107.8970	0.000	1	107.8970	0.000	1	107.8935	0.000	2	110.6015	9.917	4	109.2528	10.319	13	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5,5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:N[5]-3:	C-4:C[5]-3:C[5]-3:	C[5](N[5,5]C[5,5]N[5])(N[5]C[5]C)(O)	N[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]O)(N[5]C[5]C)	N[5](CC[6,6]C[6a]H)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[5](N[5,5]C[5,5]N[5])(N[5]C[5]C)(O){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	N[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>}	N[5](CC[6,6]C[6a]H)(C[5]C[5,5]O)(C[5]N[5,5]O){1|C<4>,1|N<2>,1|N<3>}	107.6540	0.000	1	107.6540	0.000	1	107.6540	0.000	1	107.6540	0.000	1	109.2528	10.319	13	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,5]	N[5]	3:3:1:	4:4:3:	3:3:4:	N[5,5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O)	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]N)(C[5]N[5,5]O)(CCHH)	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5]N)(C[5]N[5,5]O)(CCHH){1|C<3>,2|C<4>}	108.3100	0.000	1	108.3100	0.000	1	107.9197	0.114	3	107.9197	0.114	3	109.2528	10.319	13	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,5]	N[5]	3:3:1:	4:4:3:	3:3:4:	N[5,5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O)	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CCHH)	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CCHH){1|C<3>,2|C<4>}	107.7300	0.000	1	107.7300	0.000	1	107.9197	0.114	3	107.9197	0.114	3	109.2528	10.319	13	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,5]	N[5]	3:3:1:	4:4:3:	3:3:4:	N[5,5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O)	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3)	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3){1|C<3>,2|C<4>}	107.7190	0.000	1	107.7190	0.000	1	107.9197	0.114	3	107.9197	0.114	3	109.2528	10.319	13	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,5]	N[5]	3:3:1:	4:4:3:	4:3:1:	N[5,5]-3:N[5]-3:O-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](N[5,5]C[5,5,6]C[5])(N[5]C[5,6]H)(O)	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)(H)	C[5](N[5,5]C[5,5,6]C[5])(N[5]C[5,6]H)(O){3|C<4>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<2>,5|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>,3|H<1>}	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	109.2528	10.319	13	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,5]	N[5]	3:3:1:	4:4:3:	4:3:3:	N[5,5]-3:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](N[5,5]C[5,5]2)(N[5]C[6a]C[5])(O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)	N[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(C[6a]C[6a]2)	C[5](N[5,5]C[5,5]2)(N[5]C[6a]C[5])(O){2|H<1>,3|C<4>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	N[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	106.9360	0.310	2	109.2528	10.319	13	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,5]	N[5]	3:3:1:	4:4:3:	4:3:3:	N[5,5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CCO)	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O){2|C<4>,5|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O){1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CCO){1|H<1>,2|C<4>}	106.5420	0.000	1	106.5420	0.000	1	106.5420	0.000	1	106.9360	0.310	2	109.2528	10.319	13	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,5]	N[5]	3:3:1:	4:4:3:	4:3:4:	N[5,5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:S-4:	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]S)(O)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(SC[6a]OO)	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]S)(O){2|C<4>,5|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O){1|S<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(SC[6a]OO){1|H<1>,2|C<4>}	106.4610	0.000	1	106.4610	0.000	1	106.4610	0.000	1	106.4610	0.000	1	109.2528	10.319	13	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,5]	N[5]	3:3:3:	4:3:3:	3:3:3:	N[5,5]-3:N[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:Ge[5]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2)	N[5,5](C[5,5]C[6a]Ge[5]N[5])(C[5]C[6a]N[5])(C[5]C[5]H)	N[5](C[5]N[5,5]C[6a])(Ge[5]C[5,5]I)(C[6a]C[6a]2)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2){1|I<1>,1|N<3>,3|H<1>,6|C<3>}	N[5,5](C[5,5]C[6a]Ge[5]N[5])(C[5]C[6a]N[5])(C[5]C[5]H){1|H<1>,1|I<1>,6|C<3>}	N[5](C[5]N[5,5]C[6a])(Ge[5]C[5,5]I)(C[6a]C[6a]2){1|N<3>,2|C<4>,6|C<3>}	116.9880	0.000	1	116.9880	0.000	1	116.9880	0.000	1	116.9880	0.000	1	109.2528	10.319	13	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,6]	N[5,6]	3:3:1:	4:3:4:	4:3:4:	N[5,6]-3:N[5,6]-3:O-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	C[5](N[5,6]C[5,5,6]C[6])2(O){2|C<3>,4|H<1>,4|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	108.0740	0.000	1	108.0740	0.000	1	107.9127	0.057	6	107.9127	0.057	6	107.9127	0.057	6	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,6]	N[5,6]	3:3:1:	4:3:4:	4:3:4:	N[5,6]-3:N[5,6]-3:O-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH)	C[5](N[5,6]C[5,5,6]C[6])2(O){2|C<3>,4|H<1>,4|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	107.9548	0.220	4	107.9548	0.049	4	107.9127	0.057	6	107.9127	0.057	6	107.9127	0.057	6	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,6]	N[5,6]	3:3:1:	4:3:4:	4:3:4:	N[5,6]-3:N[5,6]-3:O-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH)	C[5](N[5,6]C[5,5,6]C[6])2(O){4|N<3>,6|H<1>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	107.5830	0.000	1	107.5830	0.000	1	107.9127	0.057	6	107.9127	0.057	6	107.9127	0.057	6	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,6]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:N[6]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](N[5,6]C[5,6]N[6])(N[5]C[6a]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(N[6]C[6]C)	N[5](C[5]C[5,6]HO)(C[5]N[5,6]O)(C[6a]C[6a]2)	C[5](N[5,6]C[5,6]N[6])(N[5]C[6a]C[5])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]HO)(C[5]N[5,6]O)(C[6a]C[6a]2){1|N<3>,3|C<3>,3|H<1>}	107.2040	0.000	1	107.2040	0.000	1	107.2040	0.000	1	107.2040	0.000	1	107.4632	3.019	11	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,6]	N[5]	3:3:1:	4:4:3:	3:3:4:	N[5,6]-3:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5]C[5,6]N)(C[5]N[5,6]O)(CCHH)	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]N)(C[5]N[5,6]O)(CCHH){1|C<3>,2|C<4>}	107.7400	0.000	1	107.7400	0.000	1	107.7400	0.000	1	107.7400	0.000	1	107.4632	3.019	11	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,6]	N[5]	3:3:1:	4:4:3:	4:3:1:	N[5,6]-3:N[5]-3:O-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(O)	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]N[6]HH)(C[5]N[5]O)	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(H)	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(O){2|C<3>,2|H<1>,3|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]N[6]HH)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.8625	0.053	2	108.8625	0.003	2	108.7750	0.019	4	108.7750	0.019	4	107.4632	3.019	11	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,6]	N[5]	3:3:1:	4:4:3:	4:3:1:	N[5,6]-3:N[5]-3:O-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(O)	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]O)	N[5](C[5,5]C[5,5,6]C[6a]N[5])(C[5]N[5,6]O)(H)	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(O){2|C<3>,2|H<1>,3|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5](C[5,5]C[5,5,6]C[6a]N[5])(C[5]N[5,6]O)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	108.6875	0.151	2	108.6875	0.023	2	108.7750	0.019	4	108.7750	0.019	4	107.4632	3.019	11	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,6]	N[5]	3:3:1:	4:4:3:	4:3:4:	N[5,6]-3:N[5]-3:O-1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[5]-3:C-4:	C[5](N[5,6]C[5,5,6,6]C[6])(N[5]C[5,5,6]C)(O)	N[5,6](C[5,5,6,6]C[5,5,6]N[5,6]C[6])(C[6]O[6]HH)(C[5]N[5]O)	N[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]N[5,6]O)(CC[6a]HH)	C[5](N[5,6]C[5,5,6,6]C[6])(N[5]C[5,5,6]C)(O){1|O<2>,2|C<4>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6,6]C[5,5,6]N[5,6]C[6])(C[6]O[6]HH)(C[5]N[5]O){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]N[5,6]O)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	107.5940	0.000	1	107.5940	0.000	1	107.5940	0.000	1	107.7360	0.142	3	107.4632	3.019	11	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,6]	N[5]	3:3:1:	4:4:3:	4:3:4:	N[5,6]-3:N[5]-3:O-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O)	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O)	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(CC[6a]HH)	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	107.4510	0.000	1	107.4510	0.000	1	107.4510	0.000	1	107.7360	0.142	3	107.4632	3.019	11	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,6]	N[5]	3:3:1:	4:4:3:	4:3:4:	N[5,6]-3:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	N[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(CH3)	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O){2|C<3>,3|C<4>}	N[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(CH3){1|C<4>,1|H<1>,1|S<2>}	108.1630	0.000	1	108.1630	0.000	1	108.1630	0.000	1	107.7360	0.142	3	107.4632	3.019	11	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,6]	N[5]	3:3:2:	4:3:3:	3:3:4:	N[5,6]-3:N[5]-3:N-2:	C[5,6]-4:C[5]-3:N[6]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5,6]C[5,6]N[6])(N[5]C[5]C)(NC)	N[5,6](C[5,6]C[5]C[6]2)(C[5]N[5]N)(N[6]C[6]C)	N[5](C[5]C[5,6]O)(C[5]N[5,6]N)(CC[6a]HH)	C[5](N[5,6]C[5,6]N[6])(N[5]C[5]C)(NC){1|C<3>,1|O<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]2)(C[5]N[5]N)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5,6]N)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	105.8520	0.000	1	105.8520	0.000	1	105.8520	0.000	1	105.8520	0.000	1	107.4632	3.019	11	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5,6]	N[5]	3:3:3:	4:3:3:	3:3:2:	N[5,6]-3:N[5]-3:C-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5,6]C[5,6]2)(N[5]C[6a]N[5])(CC[6a]N)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]C)	N[5](C[5]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5,6])	C[5](N[5,6]C[5,6]2)(N[5]C[6a]N[5])(CC[6a]N){1|H<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5,6]){2|Br<1>,2|C<3>,2|C<4>}	102.9910	0.000	1	102.9910	0.000	1	102.9910	0.000	1	102.9910	0.000	1	107.4632	3.019	11	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5,5]	3:3:1:	4:3:3:	4:4:3:	N[5,5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]H)(C[6a]C[6a]2)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]H)(C[6a]C[6a]2){1|H<1>,4|C<3>,4|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]H){3|H<1>,4|C<3>}	112.9410	0.000	1	112.9410	0.000	1	112.9410	0.000	1	112.9410	0.000	1	111.3265	5.213	2	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5,5]	3:3:1:	4:3:4:	4:4:3:	N[5,5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[3x5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[3x5]C[5])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,6a]C[3x5]C)(C[5]N[5,5]O)(CH3)	N[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]HH)(C[5]N[5]O)	C[5](N[5,5]C[3x5]C[5])(N[5]C[5,5]C)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,6a]C[3x5]C)(C[5]N[5,5]O)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	N[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,2|H<1>}	109.7120	0.000	1	109.7120	0.000	1	109.7120	0.000	1	109.7120	0.000	1	111.3265	5.213	2	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){2|H<1>}	110.7280	0.000	1	110.7280	0.000	1	110.7280	0.000	1	110.7280	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	3:3:1:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:Br-1:	C[5]-4:C[5]-3:Br-1:	C[5](N[5]C[5]Br)2(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(Br)	N[5](C[5]C[5]CH)(C[5]N[5]O)(Br)	C[5](N[5]C[5]Br)2(O){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(Br){1|Br<1>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(Br){1|Br<1>,1|O<1>}	106.1020	0.000	1	106.1020	0.000	1	106.1020	0.000	1	106.1020	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	3:3:3:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O)	N[5](C[5]C[5]CC)(C[5]N[5]O)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|C<4>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O){1|H<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	107.4670	0.000	1	107.4670	0.000	1	107.4670	0.000	1	107.4670	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]C)2(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	111.0030	0.000	1	111.0030	0.000	1	111.0030	0.000	1	111.0030	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	N[5](C[5]C[5]CC)(C[5]N[5]O)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|C<4>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	3:3:4:	4:3:2:	N[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:	C[5](N[5]C[5]C)(N[5]C[5]O)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]CC)(C[5]N[5]O)(OH)	C[5](N[5]C[5]C)(N[5]C[5]O)(O){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	N[5](C[5]C[5]CC)(C[5]N[5]O)(OH){1|C<4>,1|O<1>}	106.1170	0.000	1	106.1170	0.000	1	106.1170	0.000	1	106.1170	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:3:1:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]N[5]S)	N[5](C[5]N[5]S)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]N[5]S){3|C<3>,3|H<1>}	N[5](C[5]N[5]S)(N[5]C[5]C)(H){1|C<3>,2|H<1>}	108.4380	0.000	1	108.4380	0.000	1	108.4380	0.000	1	108.4380	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])2(H){4|C<3>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H){1|N<3>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H){1|N<3>,2|H<1>,4|C<3>}	115.0250	0.000	1	115.0250	0.000	1	115.0250	0.000	1	115.0250	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:S-4:	C[5](N[5]C[5a]C[5])(N[5]C[5]S)(O)	N[5](C[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(SCOO)	C[5](N[5]C[5a]C[5])(N[5]C[5]S)(O){1|N<2>,1|N<3>,4|H<1>}	N[5](C[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(SCOO){1|C<3>,2|H<1>}	106.6240	0.000	1	106.6240	0.000	1	106.6240	0.000	1	106.4773	0.016	3	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	3:4:3:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:S-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]S)(O)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)	C[5](N[5]C[6a]C[5])(N[5]C[5]S)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO){1|C<3>,2|H<1>}	106.4040	0.000	2	106.4040	0.000	2	106.4040	0.000	2	106.4773	0.016	3	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]H)2(O)	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](N[5]C[5]H)2(O){1|O<1>,2|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|H<1>,2|C<3>}	107.8240	0.000	1	107.8240	0.000	1	107.8240	0.000	1	107.8240	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:2:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[5]H)(N[5]C[5]N)(O)	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(NC)	C[5](N[5]C[5]H)(N[5]C[5]N)(O){1|O<1>,2|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H){1|N<2>,1|O<1>,4|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(NC){1|H<1>,2|C<3>}	106.5200	0.000	1	106.5200	0.000	1	106.5200	0.000	1	106.5200	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,5]H)(N[5]C[5]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)	C[5](N[5]C[5,5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	106.7780	0.000	1	106.7780	0.000	1	106.7780	0.000	1	106.7780	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,5,6]H)2(O)	N[5](C[5,5,6]C[5,5,6]C[6,6a]N[5])(C[5]N[5]O)(H)	N[5](C[5,5,6]C[5,5,6]C[6,6a]N[5])(C[5]N[5]O)(H)	C[5](N[5]C[5,5,6]H)2(O){2|C<3>,2|N<3>}	N[5](C[5,5,6]C[5,5,6]C[6,6a]N[5])(C[5]N[5]O)(H){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,5,6]C[5,5,6]C[6,6a]N[5])(C[5]N[5]O)(H){1|N<3>,2|H<1>,4|C<3>}	108.7540	0.383	3	108.7540	0.146	3	108.7540	0.146	3	108.7540	0.146	3	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HS)(C[5]N[5]O)(H)	N[5](C[5]C[5]HO)(C[5]N[5]O)(CCO)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<2>,1|S<2>,2|H<1>}	N[5](C[5]C[5]HS)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<2>}	N[5](C[5]C[5]HO)(C[5]N[5]O)(CCO){1|S<2>,2|H<1>}	106.9890	0.000	1	106.9890	0.000	1	106.9890	0.000	1	107.2845	0.175	2	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:3:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:N-3:	C[5](N[5]C[5,5]H)(N[5]C[5]N)(S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(NCH)	C[5](N[5]C[5,5]H)(N[5]C[5]N)(S){1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)(H){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(NCH){1|H<1>,4|C<3>}	107.5800	0.000	1	107.5800	0.000	1	107.5800	0.000	1	107.2845	0.175	2	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5](N[5]C[5]H)(N[5]C[5]S)(O)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(SC[6a]OO)	C[5](N[5]C[5]H)(N[5]C[5]S)(O){1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H){1|S<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(SC[6a]OO){1|C<3>,2|H<1>}	106.6865	0.021	2	106.6865	0.000	2	106.6865	0.000	2	106.6865	0.000	2	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:2:	4:3:2:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:O-2:	C[5](N[5]C[5]O)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(OH)	N[5](C[5]C[5]CH)(C[5]N[5]O)(OH)	C[5](N[5]C[5]O)2(O){1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(OH){1|O<2>,2|H<1>}	106.3710	0.000	1	106.3710	0.000	1	106.3710	0.000	1	106.3710	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:N-3:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]H)(N[5]C[5,5]N)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(NOO)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[5,5]H)(N[5]C[5,5]N)(O){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(NOO){1|C<4>,2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,3|N<3>}	104.8430	0.000	1	104.8430	0.000	1	104.8430	0.000	1	106.4313	3.987	4	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:N-3:	C[5,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,6]H)(N[5]C[5,6]N)(O)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(NOO)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(H)	C[5](N[5]C[5,6]H)(N[5]C[5,6]N)(O){2|H<1>,2|N<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(NOO){1|C<4>,2|H<1>,2|N<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,3|N<3>}	104.7780	0.000	1	104.7780	0.000	1	104.7780	0.000	1	106.4313	3.987	4	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCO)	N[5](C[5]C[5]HS)(C[5]N[5]O)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|S<2>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCO){1|S<2>,2|H<1>}	N[5](C[5]C[5]HS)(C[5]N[5]O)(H){1|C<3>,2|H<1>}	107.2000	0.000	1	107.2000	0.000	1	107.2000	0.000	1	106.4313	3.987	4	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:1:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]S)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]S)(H)	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]H)(S){6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]S){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]S)(H){1|N<3>,1|O<1>,5|C<3>}	108.9040	0.000	1	108.9040	0.000	1	108.9040	0.000	1	106.4313	3.987	4	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>}	107.1363	0.596	3	107.1363	0.355	3	107.1363	0.355	3	107.2720	0.310	4	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:4:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C[6a])(N[5]N[5,5]C)(S)	N[5](C[5,5]C[5,6a]N[5,5]C)(C[6a]C[6a]2)(C[5]N[5]S)	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5,5]C[6a])(N[5]N[5,5]C)(S){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]N[5,5]C)(C[6a]C[6a]2)(C[5]N[5]S){1|B<4>,1|C<4>,3|H<1>,4|C<3>}	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH){1|C<4>,2|O<2>,3|C<3>}	107.6790	0.000	1	107.6790	0.000	1	107.6790	0.000	1	107.2720	0.310	4	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3)	C[5](N[5]C[5]C)2(O){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3){1|H<1>,2|C<4>}	108.8700	0.000	1	108.8700	0.000	1	108.2920	0.186	7	108.2920	0.186	7	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH)	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,1|N<2>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH){1|C<3>,2|C<4>}	108.3240	0.000	1	108.3240	0.000	1	108.2920	0.186	7	108.2920	0.186	7	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,1|N<2>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	108.0280	0.462	3	108.0280	0.214	3	108.2920	0.186	7	108.2920	0.186	7	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3)	C[5](N[5]C[5]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	108.3830	0.355	2	108.3830	0.126	2	108.2920	0.186	7	108.2920	0.186	7	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CCHH)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	109.0354	0.271	8	109.0354	0.074	8	108.6800	0.320	17	108.6800	0.320	17	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	108.5540	0.000	1	108.5540	0.000	1	108.6800	0.320	17	108.6800	0.320	17	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	108.8390	0.349	3	108.8390	0.122	3	108.6800	0.320	17	108.6800	0.320	17	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(H)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0412	0.551	5	108.0412	0.303	5	108.6800	0.320	17	108.6800	0.320	17	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(O){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<4>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CN[5]HH){1|N<3>,2|C<4>,4|C<3>}	109.5040	0.464	2	109.5040	0.215	2	108.3200	1.236	75	108.2862	1.104	88	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5](N[5]C[5,5]C)2(O){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	107.9622	0.505	9	107.9622	0.255	9	108.3200	1.236	75	108.2862	1.104	88	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(O){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|N<3>,2|C<3>,2|C<4>}	108.4330	0.016	2	108.4330	0.000	2	108.3200	1.236	75	108.2862	1.104	88	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH)	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	107.8155	0.243	2	107.8155	0.059	2	108.3200	1.236	75	108.2862	1.104	88	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	109.4170	0.139	2	109.4170	0.019	2	108.3200	1.236	75	108.2862	1.104	88	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	108.0250	0.000	1	108.0250	0.000	1	108.3200	1.236	75	108.2862	1.104	88	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	108.3153	1.211	57	108.3153	1.466	57	108.3200	1.236	75	108.2862	1.104	88	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,6]C)2(O){2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH){3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH){3|C<4>,3|H<1>}	107.8086	0.503	5	107.8086	0.253	5	108.0111	0.247	8	108.2862	1.104	88	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3)	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3)	C[5](N[5]C[5,6]C)2(O){1|N<2>,1|N<3>,2|C<3>}	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,4|C<3>}	108.2740	0.366	2	108.2740	0.134	2	108.0111	0.247	8	108.2862	1.104	88	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CCHH)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	C[5](N[5]C[5,6]C)2(O){2|H<1>,2|N<3>}	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	108.4980	0.000	1	108.4980	0.000	1	108.0111	0.247	8	108.2862	1.104	88	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O)	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]O)(CH3)	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5]O)(CH3)	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O){1|C<4>,3|C<3>}	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]O)(CH3){1|H<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5]O)(CH3){1|C<4>,4|C<3>}	108.7750	0.000	1	108.7750	0.000	1	108.7750	0.000	1	108.2862	1.104	88	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|H<1>,2|C<4>}	107.7850	0.000	1	107.7850	0.000	1	108.0770	0.171	2	108.2862	1.104	88	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	C[5](N[5]C[5]C)2(O){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	108.3690	0.000	1	108.3690	0.000	1	108.0770	0.171	2	108.2862	1.104	88	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:S-4:	C[5](N[5]C[5]C)(N[5]C[5]S)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)	C[5](N[5]C[5]C)(N[5]C[5]S)(O){1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|S<4>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO){1|C<4>,2|H<1>}	107.1770	0.000	1	107.1770	0.000	1	107.1770	0.000	1	108.2862	1.104	88	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH)	C[5](N[5]C[5]C)2(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	108.9960	0.000	1	108.9960	0.000	1	108.9960	0.000	1	108.2862	1.104	88	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:1:	4:4:3:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[6]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C[6])(N[5]C[5]C)(O)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(O){2|C<3>,2|C<4>,3|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>,4|C<4>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:2:	3:3:1:	3:3:1:	N[5]-3:N[5]-3:N-2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]H)2(NC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5](N[5]C[5,6a]H)2(NC){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	111.2000	0.000	1	111.2000	0.000	1	111.2000	0.000	1	111.2000	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NSi)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C[5](N[5]C[5]C)2(NSi){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	104.1780	0.000	1	104.1780	0.000	1	104.1780	0.000	1	104.1780	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:2:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(SeAg)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	C[5](N[5]C[6a]C[5])2(SeAg){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	3:3:4:	N[5]-3:N[5]-3:N-2:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,5]H)(N[5]C[5]C)(NC)	N[5](C[5,5]C[5]3)(C[5]N[5]N)(H)	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO)	C[5](N[5]C[5,5]H)(N[5]C[5]C)(NC){1|O<1>,2|C<4>}	N[5](C[5,5]C[5]3)(C[5]N[5]N)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO){1|H<1>,2|C<4>}	108.2510	0.000	1	108.2510	0.000	1	108.2510	0.000	1	108.2510	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(NC[6a])	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	C[5](N[5]C[5]H)2(NC[6a]){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){3|H<1>}	108.5545	0.029	2	108.5545	0.001	2	108.5545	0.001	2	108.5545	0.001	2	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:2:	4:3:1:	4:3:4:	N[5]-3:N[5]-3:S-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(SCu)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(SCu){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	3:3:3:	N[5]-3:N[5]-3:N-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-3:C[5]-3:C-3:	C[5](N[5]C[5,5]C)2(NC)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]N)(CH3)	N[5](C[5,5]C[5,5]C[5])(C[5]N[5]N)(COO)	C[5](N[5]C[5,5]C)2(NC){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,5]C[5])(C[5]N[5]N)(COO){1|C<3>,1|H<1>,3|C<4>}	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(NN)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(NN){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){1|C<4>,2|H<1>}	109.3820	0.000	1	109.3820	0.000	1	109.3820	0.000	1	109.3820	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:2:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:S-2:	C[5](N[5]C[5]C)(N[5]C[5]S)(NN)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(SN)	C[5](N[5]C[5]C)(N[5]C[5]S)(NN){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){1|S<2>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(SN){1|C<4>,2|H<1>}	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[6a])	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NC[6a]){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	108.3510	0.000	1	108.3510	0.000	1	107.1790	7.224	4	107.8204	7.475	5	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NP)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	C[5](N[5]C[5]C)2(NP){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){1|C<4>,2|H<1>}	103.1560	0.000	1	103.1560	0.000	1	107.1790	7.224	4	107.8204	7.475	5	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NP)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NP){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	108.7630	0.000	1	108.7630	0.000	1	107.1790	7.224	4	107.8204	7.475	5	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NP)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6]CH)	C[5](N[5]C[5]C)2(NP){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6]CH){1|C<4>,2|H<1>}	108.4460	0.000	1	108.4460	0.000	1	107.1790	7.224	4	107.8204	7.475	5	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(OTb)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(OTb){2|C<4>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	110.3860	0.000	1	110.3860	0.000	1	110.3860	0.000	1	107.8204	7.475	5	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:2:	4:4:3:	4:4:3:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:C[6]-4:C[5]-3:	C[5](N[5]C[5]C[6])2(NTi)	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N)	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N)	C[5](N[5]C[5]C[6])2(NTi){4|C<4>,6|H<1>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N){3|C<4>,6|H<1>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N){3|C<4>,6|H<1>}	110.0070	0.000	1	110.0070	0.000	1	110.0070	0.000	1	110.0070	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:2:	N[5]-3:N[5]-3:C-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[6a]O)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[6a]O){5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]){2|H<1>,4|C<3>}	103.0700	0.000	1	103.0700	0.000	1	103.0700	0.000	1	103.0700	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(CP[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])2(CP[5]C){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	103.5840	0.000	1	103.5840	0.000	1	103.5840	0.000	1	104.3382	0.247	10	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[5]N[5]2)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])2(C[5]N[5]2){2|O<1>,8|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|N<3>,3|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|N<3>,3|C<3>}	104.8370	0.298	2	104.8370	0.089	2	104.8370	0.089	2	104.3382	0.247	10	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[6]C[6]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])2(C[6]C[6]2){4|H<1>,6|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	104.3034	0.420	7	104.3034	0.176	7	104.3034	0.176	7	104.3382	0.247	10	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C[4]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](N[5]C[6a]C[5])2(C[4]P[4]2)	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])2(C[4]P[4]2){1|C<2>,5|C<3>,5|H<1>}	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,2|P<3>,3|C<3>}	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,2|P<3>,3|C<3>}	107.3740	0.000	1	107.3740	0.000	1	107.3740	0.000	1	108.0933	3.855	6	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	107.4970	0.858	2	107.4970	0.737	2	107.4970	0.737	2	108.0933	3.855	6	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](N[5]C[6a]C[5])2(C[6]C[6]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])2(C[6]C[6]2){6|C<3>,6|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	107.8190	0.000	1	107.8190	0.000	1	107.8190	0.000	1	108.0933	3.855	6	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){6|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Ru<8>,1|F<1>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|F<1>,2|H<1>,5|C<3>}	111.9110	0.000	1	111.9110	0.000	1	111.9110	0.000	1	108.0933	3.855	6	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NCuC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](N[5]C[5]C)2(NCuC){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	106.4620	0.000	1	106.4620	0.000	1	106.4620	0.000	1	108.0933	3.855	6	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:4:4:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]2)(N[5]C[5]C){3|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3){1|C<3>,2|H<1>,2|N<3>}	107.5710	0.000	1	107.5710	0.000	1	107.5710	0.000	1	107.5710	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	3:4:1:	3:4:1:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[6]C[6]2)(N[5]C[5]H)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]CH)(H)	C[5](C[6]C[6]2)(N[5]C[5]H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]CH)(H){2|C<3>,3|H<1>}	111.4670	0.000	1	111.4670	0.000	1	111.4670	0.000	1	111.4670	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(BBH)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BBH){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	106.1150	0.000	1	106.1150	0.000	1	106.3405	0.261	4	106.3405	0.261	4	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(BBP)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BBP){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	105.9950	0.000	1	105.9950	0.000	1	106.3405	0.261	4	106.3405	0.261	4	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(BB[5a]B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BB[5a]B){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	106.1510	0.000	1	106.1510	0.000	1	106.3405	0.261	4	106.3405	0.261	4	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(BC[5]Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])2(BC[5]Cl){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	107.1010	0.000	1	107.1010	0.000	1	106.3405	0.261	4	106.3405	0.261	4	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	3:4:3:	4:3:4:	N[5]-3:N[5]-3:N-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NCH)	N[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(C[5]N[5]N)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NCH){2|C<3>,4|H<1>}	N[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(C[5]N[5]N){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<3>,2|H<1>}	111.5770	0.000	1	111.5770	0.000	1	111.5770	0.000	1	111.5770	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	3:4:4:	3:4:4:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[5]-4:C-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	111.9430	0.000	1	111.9430	0.000	1	111.9430	0.000	1	111.9430	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:N-3:	C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]H)(N[5]C[5]H)(NHH)	N[5](C[5,5]C[5]3)(C[5]N[5]N)(H)	N[5](C[5]C[5,5]HH)(C[5]N[5]N)(H)	C[5](N[5]C[5,5]H)(N[5]C[5]H)(NHH){2|C<4>,2|H<1>}	N[5](C[5,5]C[5]3)(C[5]N[5]N)(H){1|Cl<1>,3|C<4>,5|H<1>}	N[5](C[5]C[5,5]HH)(C[5]N[5]N)(H){1|H<1>,2|C<4>}	111.2440	0.000	1	111.2440	0.000	1	111.2440	0.000	1	111.1306	0.617	5	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(NCH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	C[5](N[5]C[5]H)2(NCH){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){3|H<1>}	111.7670	0.000	1	111.7670	0.000	1	111.5113	0.222	3	111.1306	0.617	5	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(NC[6a]H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	C[5](N[5]C[5]H)2(NC[6a]H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){3|H<1>}	111.7990	0.000	1	111.7990	0.000	1	111.5113	0.222	3	111.1306	0.617	5	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(NHH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(H)	C[5](N[5]C[5]H)2(NHH){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(H){3|H<1>}	110.9680	0.000	1	110.9680	0.000	1	111.5113	0.222	3	111.1306	0.617	5	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:S-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(SCu2)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	C[5](N[5]C[5]H)2(SCu2){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	109.8750	0.000	1	109.8750	0.000	1	109.8750	0.000	1	111.1306	0.617	5	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:4:	N[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)(N[5]C[5]H)(CCC)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]C)(N[5]C[5]H)(CCC){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){3|H<1>}	110.0960	0.000	1	110.0960	0.000	1	110.0960	0.000	1	110.0960	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:C-3:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(CHN)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH)	C[5](N[5]C[5,6]C)2(CHN){2|H<1>,2|N<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	110.6720	0.000	1	110.6720	0.000	1	110.6720	0.000	1	110.4871	1.761	7	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[5]H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NC[5]H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	113.0190	0.000	1	113.0190	0.000	1	110.4563	2.105	6	110.4871	1.761	7	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[5]Pd)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NC[5]Pd){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	111.0500	0.000	1	111.0500	0.000	1	110.4563	2.105	6	110.4871	1.761	7	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[6a]Cu)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NC[6a]Cu){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	110.1775	0.121	2	110.1775	0.015	2	110.4563	2.105	6	110.4871	1.761	7	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NCuC)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NCuC){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	109.1570	0.245	2	109.1570	0.060	2	110.4563	2.105	6	110.4871	1.761	7	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:3:	4:4:3:	4:3:3:	N[5]-3:N[5]-3:N-3:	B[5]-4:C[6]-4:C[5]-3:	C[6]-4:B[5]-3:C[5]-3:	C[5](N[5]B[5]C[6])2(NCC)	N[5](B[5]B[5]Cl2)(C[6]C[6]2H)(C[5]N[5]N)	N[5](C[6]C[6]2H)(B[5]B[5]N)(C[5]N[5]N)	C[5](N[5]B[5]C[6])2(NCC){2|Cl<1>,1|N<3>,2|H<1>,4|C<4>}	N[5](B[5]B[5]Cl2)(C[6]C[6]2H)(C[5]N[5]N){1|N<3>,3|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(B[5]B[5]N)(C[5]N[5]N){2|Cl<1>,3|C<4>,4|H<1>}	116.4860	0.000	1	116.4860	0.000	1	116.4860	0.000	1	116.4860	0.000	1	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	3:3:4:	3:4:3:	4:3:4:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CC[6a]HH){1|C<3>,2|H<1>}	108.9850	0.214	2	108.9850	0.046	2	108.9850	0.046	2	108.9850	0.046	2	108.2325	3.606	200	108.4364	4.373	254
818	542	542	5:SP2_SP3_SP3	C[5,5]	N[5]	N[5,5]	3:3:2:	3:4:1:	3:4:4:	N[5,5]-3:N[5]-3:N[5]-2:	C[5,5]-3:C[5]-4:H-1:	C[5,5]-3:C[5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(N[5]C[5]H)(N[5]C[5])	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	C[5,5](N[5,5]C[5]2)(N[5]C[5]H)(N[5]C[5]){8|H<1>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H){2|C<4>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{5|H<1>}	112.4990	0.864	2	112.4990	0.747	2	112.4990	0.747	2	112.4990	0.747	2	111.6503	2.534	3	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5,5]	N[5]	N[5,5]	3:3:2:	3:4:4:	3:4:4:	N[5,5]-3:N[5]-3:N[5]-2:	C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(N[5]C[5]C)(N[5]C[5])	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH)	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	C[5,5](N[5,5]C[5]2)(N[5]C[5]C)(N[5]C[5]){8|H<1>}	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH){2|C<4>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{1|C<4>,4|H<1>}	109.9530	0.000	1	109.9530	0.000	1	109.9530	0.000	1	109.9530	0.000	1	111.6503	2.534	3	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5,6]	N[5,6]	N[5]	3:3:2:	3:4:4:	3:4:4:	N[5,6]-3:N[5]-3:N[6]-2:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(N[6]N[6])	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HH)	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(N[6]N[6]){1|C<3>,7|H<1>}	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	109.6720	0.000	1	109.6720	0.000	1	109.6720	0.000	1	109.6720	0.000	1	109.1932	0.497	6	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5,6]	N[5,6]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5,6]-3:C[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C[3x6]-4:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3)	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C){1|H<1>,3|C<4>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H){2|C<4>,2|N<3>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	108.7675	0.102	4	108.7675	0.010	4	108.7675	0.010	4	108.7675	0.010	4	109.1932	0.497	6	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5,6]	N[5,6]	N[5]	3:3:3:	4:3:4:	3:4:4:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C)	N[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C){1|O<2>,2|C<4>,6|H<1>}	N[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|C<4>,4|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	110.4170	0.000	1	110.4170	0.000	1	110.4170	0.000	1	110.4170	0.000	1	109.1932	0.497	6	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5,5]	N[5]	3:3:1:	3:4:3:	4:3:4:	N[5,5]-3:N[5]-3:O-1:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5,5]C[5,6a]C[3x5])(N[5]C[5,5]C)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O)	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH)	C[5](N[5,5]C[5,6a]C[3x5])(N[5]C[5,5]C)(O){1|H<1>,2|C<4>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5,6]	N[5,6]	3:3:1:	4:3:4:	4:3:4:	N[5,6]-3:N[5,6]-3:O-1:	C[5,5,6,6]-4:C[5]-3:C[6]-4:	C[5,5,6,6]-4:C[5]-3:C[6]-4:	C[5](N[5,6]C[5,5,6,6]C[6])2(O)	N[5,6](C[5,5,6,6]C[5,5,6,6]N[5,6]C[6])(C[5]N[5,6]O)(C[6]O[6]HH)	N[5,6](C[5,5,6,6]C[5,5,6,6]N[5,6]C[6])(C[5]N[5,6]O)(C[6]O[6]HH)	C[5](N[5,6]C[5,5,6,6]C[6])2(O){2|C<4>,2|N<3>,2|O<2>,4|H<1>}	N[5,6](C[5,5,6,6]C[5,5,6,6]N[5,6]C[6])(C[5]N[5,6]O)(C[6]O[6]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5,6](C[5,5,6,6]C[5,5,6,6]N[5,6]C[6])(C[5]N[5,6]O)(C[6]O[6]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	107.7940	0.000	1	107.7940	0.000	1	107.7940	0.000	1	108.1523	0.217	16	108.1523	0.217	16	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5,6]	N[5,6]	3:3:1:	4:3:4:	4:3:4:	N[5,6]-3:N[5,6]-3:O-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	C[5](N[5,6]C[5,5,6]C[6])2(O){2|C<3>,4|H<1>,4|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	108.2370	0.273	4	108.1217	0.079	6	107.9851	0.140	11	108.1523	0.217	16	108.1523	0.217	16	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5,6]	N[5,6]	3:3:1:	4:3:4:	4:3:4:	N[5,6]-3:N[5,6]-3:O-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	C[5](N[5,6]C[5,5,6]C[6])2(O){2|C<3>,4|H<1>,4|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<4>,3|C<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<4>,3|C<3>}	107.8910	0.099	2	108.1217	0.079	6	107.9851	0.140	11	108.1523	0.217	16	108.1523	0.217	16	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5,6]	N[5,6]	3:3:1:	4:3:4:	4:3:4:	N[5,6]-3:N[5,6]-3:O-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH)	C[5](N[5,6]C[5,5,6]C[6])2(O){2|C<3>,4|H<1>,4|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	108.0385	0.366	2	108.0385	0.134	2	107.9851	0.140	11	108.1523	0.217	16	108.1523	0.217	16	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5,6]	N[5,6]	3:3:1:	4:3:4:	4:3:4:	N[5,6]-3:N[5,6]-3:O-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH)	C[5](N[5,6]C[5,5,6]C[6])2(O){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH){1|N<3>,2|C<4>,4|C<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH){1|N<3>,2|C<4>,4|C<3>}	107.7860	0.626	2	107.7860	0.392	2	107.9851	0.140	11	108.1523	0.217	16	108.1523	0.217	16	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5,6]	N[5,6]	3:3:1:	4:3:4:	4:3:4:	N[5,6]-3:N[5,6]-3:O-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH)	C[5](N[5,6]C[5,5,6]C[6])2(O){4|N<3>,6|H<1>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	107.4570	0.000	1	107.4570	0.000	1	107.9851	0.140	11	108.1523	0.217	16	108.1523	0.217	16	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5,6]	N[5,6]	3:3:1:	4:3:4:	4:3:4:	N[5,6]-3:N[5,6]-3:S-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5](N[5,6]C[5,5,6]C[6])2(S)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]S)(C[6]N[6]HH)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]S)(C[6]N[6]HH)	C[5](N[5,6]C[5,5,6]C[6])2(S){2|C<3>,4|H<1>,4|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]S)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]S)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	108.7018	0.269	4	108.7018	0.072	4	108.7018	0.072	4	108.1523	0.217	16	108.1523	0.217	16	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5,6]	N[5]	3:3:1:	4:4:3:	4:3:4:	N[5,6]-3:N[5]-3:O-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O)	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O)	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(CC[6a]HH)	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	108.2265	0.060	2	108.2265	0.004	2	108.2265	0.004	2	108.2265	0.004	2	106.5910	8.026	3	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5,6]	N[5]	3:3:3:	4:3:3:	3:3:2:	C[6]-3:N[5,6]-3:N[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[6]C[6,6a]N[6])(N[5,6]C[5,6]2)(N[5]C[6a]N[5])	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]C[6]N[5])	N[5](C[5]N[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5,6])	C[5](C[6]C[6,6a]N[6])(N[5,6]C[5,6]2)(N[5]C[6a]N[5]){1|H<1>,3|C<4>,6|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]C[6]N[5]){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5]N[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5,6]){2|Br<1>,1|N<3>,2|C<4>,3|C<3>}	103.3200	0.000	1	103.3200	0.000	1	103.3200	0.000	1	103.3200	0.000	1	106.5910	8.026	3	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](N[5]C[5]H)2(O){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(H){3|H<1>}	108.7410	0.000	1	108.7410	0.000	1	108.3410	0.320	2	108.3410	0.320	2	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(O)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[5]H)2(O){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H){2|H<1>,3|C<3>}	107.9410	0.000	1	107.9410	0.000	1	108.3410	0.320	2	108.3410	0.320	2	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:1:	4:3:4:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5](N[5]C[5,5]H)(N[5]C[5]S)(S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)(H)	N[5](C[5]C[5,5]CC)(C[5]N[5]S)(SC[6a]OO)	C[5](N[5]C[5,5]H)(N[5]C[5]S)(S){1|C<4>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)(H){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	N[5](C[5]C[5,5]CC)(C[5]N[5]S)(SC[6a]OO){1|H<1>,2|C<3>}	107.6360	0.000	1	107.6360	0.000	1	107.6360	0.000	1	107.6360	0.000	1	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:2:	4:3:2:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:O-2:	C[5](N[5]C[5]O)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(OC)	N[5](C[5]C[5]CH)(C[5]N[5]O)(OC)	C[5](N[5]C[5]O)2(O){1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]O)(OC){1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(OC){1|O<2>,2|H<1>}	106.6790	0.000	1	106.6790	0.000	1	106.6790	0.000	1	106.6790	0.000	1	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(O)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[5]CH)(C[5]N[5]O)(H){1|H<1>,2|C<3>}	106.4930	0.000	1	106.4930	0.000	1	106.4930	0.000	1	106.4930	0.000	1	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C-3:	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(COO)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(COO)	C[5](N[5]C[5,6]C)2(O){2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(COO){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(COO){1|C<3>,2|C<4>,3|H<1>}	105.7800	0.000	1	105.7800	0.000	1	105.7800	0.000	1	105.7800	0.000	1	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH)	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH){1|C<3>,2|C<4>}	107.7340	0.000	1	107.7340	0.000	1	107.7340	0.000	1	107.7340	0.000	1	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:1:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	108.6400	0.000	1	108.6400	0.000	1	108.6400	0.000	1	108.6400	0.000	1	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH)	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C)2(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH){1|C<4>,2|H<1>}	110.8490	0.000	1	110.8490	0.000	1	110.8490	0.000	1	108.5895	0.473	19	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3)	C[5](N[5]C[5,5]C)2(O){2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	108.5620	0.000	1	108.5620	0.000	1	108.6510	0.094	6	108.5895	0.473	19	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	108.0840	0.000	1	108.0840	0.000	1	108.6510	0.094	6	108.5895	0.473	19	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	108.8150	0.106	4	108.8150	0.011	4	108.6510	0.094	6	108.5895	0.473	19	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)(N[5]C[5]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3)	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3)	C[5](N[5]C[5,5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3){1|C<3>,2|C<4>}	109.2310	0.000	1	109.2310	0.000	1	109.2310	0.000	1	108.5895	0.473	19	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CC[6a]HH)	C[5](N[5]C[5,6]C)2(O){2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	107.9680	0.453	2	107.9680	0.205	2	108.3237	0.157	10	108.5895	0.473	19	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH)	C[5](N[5]C[5,6]C)2(O){2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH){3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH){3|C<4>,3|H<1>}	108.3835	0.273	6	108.3835	0.075	6	108.3237	0.157	10	108.5895	0.473	19	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	C[5](N[5]C[5,6]C)2(O){1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	109.0010	0.000	1	109.0010	0.000	1	108.3237	0.157	10	108.5895	0.473	19	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3)	C[5](N[5]C[5,6]C)2(O){1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	107.9990	0.000	1	107.9990	0.000	1	108.3237	0.157	10	108.5895	0.473	19	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:1:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3)	C[5](N[5]C[5]C)2(O){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.9770	0.000	1	107.9770	0.000	1	107.9770	0.000	1	108.5895	0.473	19	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:2:	3:4:3:	3:4:3:	N[5]-3:N[5]-3:P-2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])2(PHg)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])2(PHg){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	106.4900	0.000	1	106.4900	0.000	1	106.4900	0.000	1	106.4900	0.000	1	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[3])	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NC[3]){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	109.9170	0.000	1	109.9170	0.000	1	109.1387	0.850	10	109.1387	0.850	10	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[5])	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NC[5]){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	109.2303	0.580	3	109.2303	0.336	3	109.1387	0.850	10	109.1387	0.850	10	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[5])	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NC[5]){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,3|C<3>}	110.2035	0.226	2	110.2035	0.051	2	109.1387	0.850	10	109.1387	0.850	10	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[6])	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NC[6]){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	109.3940	0.000	1	109.3940	0.000	1	109.1387	0.850	10	109.1387	0.850	10	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[6a])	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NC[6a]){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	107.9927	0.099	3	107.9927	0.010	3	109.1387	0.850	10	109.1387	0.850	10	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]N[5])(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]N[5])(N[5]C[5]C)2{7|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|N<3>,3|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|N<3>,3|C<4>}	106.2490	0.000	1	106.2490	0.000	1	106.2490	0.000	1	107.8997	2.638	3	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	107.9540	0.000	1	107.9540	0.000	1	107.9540	0.000	1	107.8997	2.638	3	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-4:	C[6a]-3:C[5]-3:C[5]-4:	C[5](N[5]C[6a]C[5])2(C[5]N[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]HH)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])2(C[5]N[5]2){2|C<4>,4|H<1>,6|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]HH){2|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]HH){2|N<3>,3|H<1>,4|C<3>}	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	107.8997	2.638	3	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:3:	3:3:4:	3:4:4:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]2)(N[5]C[5]C){3|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3){1|C<3>,2|H<1>,2|N<3>}	108.4680	0.000	1	108.4680	0.000	1	108.4680	0.000	1	108.4680	0.000	1	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]H)2(CC[5]H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)	C[5](N[5]C[5]H)2(CC[5]H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H){3|H<1>}	109.3660	0.000	1	109.3660	0.000	1	109.3660	0.000	1	110.0655	0.979	2	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:3:	4:3:1:	4:3:1:	N[5]-3:N[5]-3:N-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,6]H)2(NC[6a]H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(H)	C[5](N[5]C[5,6]H)2(NC[6a]H){2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(H){2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(H){2|C<4>,4|H<1>}	110.7650	0.000	1	110.7650	0.000	1	110.7650	0.000	1	110.0655	0.979	2	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[5]Zn)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NC[5]Zn){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	108.6260	0.000	1	108.6260	0.000	1	109.1644	0.353	5	109.1644	0.353	5	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NC[6a]Cu)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NC[6a]Cu){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	108.8560	0.013	2	108.8560	0.000	2	109.1644	0.353	5	109.1644	0.353	5	108.5478	1.180	49	108.5482	1.685	78
818	542	542	5:SP2_SP3_SP3	C[5]	N[5]	N[5]	3:3:3:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[5]C)2(NCuC)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]C)2(NCuC){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	109.7420	0.513	2	109.7420	0.264	2	109.1644	0.353	5	109.1644	0.353	5	108.5478	1.180	49	108.5482	1.685	78
818	542	542	6:SP2_SP2_SP2	C[5,5,6]	N[5,6]	N[5,6]	3:3:3:	3:3:4:	3:3:4:	C[5,5,6]-3:N[5,6]-3:N[5,6]-3:	C[5,5,6]-3:As[5]-3:C[6]-4:	C[5,5,6]-3:P[5]-3:C[6]-4:	C[5,5,6](C[5,5,6]N[5,6]2)(N[5,6]As[5]C[6])(N[5,6]C[6]P[5])	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(As[5]N[5,6]Cl)(C[6]C[6]HH)	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(P[5]N[5,6]N)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]N[5,6]2)(N[5,6]As[5]C[6])(N[5,6]C[6]P[5]){1|Cl<1>,1|N<3>,3|C<4>,4|H<1>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(As[5]N[5,6]Cl)(C[6]C[6]HH){1|N<3>,1|P<3>,2|C<4>,2|H<1>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(P[5]N[5,6]N)(C[6]C[6]HH){1|As<3>,1|N<3>,2|C<4>,2|H<1>}	131.0580	0.052	2	131.0580	0.003	2	131.0580	0.003	2	131.0580	0.003	2	131.0580	0.003	2	131.0580	0.003	2
818	542	542	6:SP2_SP2_SP3	C[5,6]	N[5,6]	N[5,6]	3:3:3:	4:3:4:	3:3:4:	N[5,6]-3:N[5,6]-3:N[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](N[5,6]C[5,6]C[5])(N[5,6]C[6,6]C[5])(N[5]C[5]C)	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(C[5]C[5]HH)	N[5,6](C[5,6]N[5,6]N[5])(C[5,6]N[6,6]N[5])(C[5]C[5]HH)	C[5,6](N[5,6]C[5,6]C[5])(N[5,6]C[6,6]C[5])(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,7|H<1>}	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]N[5,6]N[5])(C[5,6]N[6,6]N[5])(C[5]C[5]HH){1|C<3>,2|H<1>,4|C<4>}	117.9380	0.000	1	117.9380	0.000	1	117.9380	0.000	1	117.9380	0.000	1	117.9380	0.000	1	117.9380	0.000	1