930	643	969	0:SP2_SP-NON_SP2	C	C[6a]	Ga	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ga-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(GaCC)(CCH)	C[6a](C[6a]C[6a]H)2(CGaC)	Ga(CC[6a]C)2(CCHH)	C(C[6a]C[6a]2)(GaCC)(CCH)	C[6a](C[6a]C[6a]H)2(CGaC){3|C<3>}	Ga(CC[6a]C)2(CCHH)	119.2311	0.716	8	119.2311	0.512	8	119.2311	0.512	8	119.2311	0.512	8	119.2311	0.512	8	119.2311	0.512	8
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COS)	S(CC[6a]O)	C(C[6a]C[6a]2)(O)(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COS){1|C<3>,2|H<1>}	S(CC[6a]O)	116.8110	0.000	1	116.8110	0.000	1	116.7505	0.007	2	117.2382	0.270	8	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(O)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COS)	S(CC[6a]O)	C(C[6a]C[6a]2)(O)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(COS){1|C<3>,2|H<1>}	S(CC[6a]O)	116.6900	0.000	1	116.6900	0.000	1	116.7505	0.007	2	117.2382	0.270	8	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:1:1:	3:3:3:	3:	C[6a]-3:S-1:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(S)2	C[6a](C[6a]C[6a]H)2(CSS)	S(CC[6a]S)	C(C[6a]C[6a]2)(S)2	C[6a](C[6a]C[6a]H)2(CSS){1|C<3>,2|H<1>}	S(CC[6a]S)	117.4008	0.500	6	117.4008	0.250	6	117.4008	0.250	6	117.2382	0.270	8	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5])(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[5])(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|H<1>,1|O<2>}	S(CC[6a]N)	119.3110	0.000	1	119.3110	0.000	1	119.0435	2.235	4	122.3251	5.909	16	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|H<1>,1|O<2>}	S(CC[6a]N)	118.0410	1.267	2	118.0410	1.606	2	119.0435	2.235	4	122.3251	5.909	16	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	S(CC[6a]N)	120.7810	0.000	1	120.7810	0.000	1	119.0435	2.235	4	122.3251	5.909	16	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COS)	S(CC[6a]O)	C(C[6a]C[6a]2)(OC)(S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(COS){2|H<1>,3|C<3>}	S(CC[6a]O)	122.1670	0.000	1	122.1670	0.000	1	123.6470	4.381	2	122.3251	5.909	16	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(S)	C[6a](C[6a]C[6a]H)2(COS)	S(CC[6a]O)	C(C[6a]C[6a]2)(OC)(S)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	S(CC[6a]O)	125.1270	0.000	1	125.1270	0.000	1	123.6470	4.381	2	122.3251	5.909	16	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SAu)(S)	C[6a](C[6a]C[6a]C)2(CSS)	S(CC[6a]S)	C(C[6a]C[6a]2)(SAu)(S)	C[6a](C[6a]C[6a]C)2(CSS){1|C<3>,2|H<1>}	S(CC[6a]S)	120.5960	0.000	1	120.5960	0.000	1	123.3734	2.221	10	122.3251	5.909	16	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SC)(S)	C[6a](C[6a]C[6a]H)2(CSS)	S(CC[6a]S)	C(C[6a]C[6a]2)(SC)(S)	C[6a](C[6a]C[6a]H)2(CSS){1|C<3>,2|H<1>}	S(CC[6a]S)	123.1954	0.715	5	123.1954	0.511	5	123.3734	2.221	10	122.3251	5.909	16	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SS)(S)	C[6a](C[6a]C[6a]2)2(CSS)	S(CC[6a]S)	C(C[6a]C[6a]2)(SS)(S)	C[6a](C[6a]C[6a]2)2(CSS){2|H<1>,5|C<3>}	S(CC[6a]S)	125.5665	0.151	2	125.5665	0.023	2	123.3734	2.221	10	122.3251	5.909	16	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SSe)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSS)	S(CC[6a]S)	C(C[6a]C[6a]2)(SSe)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSS){1|C<3>,2|H<1>}	S(CC[6a]S)	123.0140	0.410	2	123.0140	0.168	2	123.3734	2.221	10	122.3251	5.909	16	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:S-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[5]H)(S)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNS)	S(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[5]H)(S)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNS){1|H<1>,2|C<3>}	S(CC[6a]N)	122.6030	0.000	1	122.6030	0.000	1	122.6030	0.000	1	122.6030	0.000	1	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS)	S(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS){1|H<1>,2|C<3>}	S(CC[6a]N)	122.2245	0.586	12	122.2245	0.343	12	122.1062	0.421	20	122.1062	0.421	20	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS)	S(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS){1|C<3>,2|H<1>}	S(CC[6a]N)	121.2260	0.086	2	121.8817	0.615	6	122.1062	0.421	20	122.1062	0.421	20	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS)	S(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS){1|H<1>,2|C<3>}	S(CC[6a]N)	122.2095	0.770	4	121.8817	0.615	6	122.1062	0.421	20	122.1062	0.421	20	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHH)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS)	S(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHH)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS){1|C<3>,2|H<1>}	S(CC[6a]N)	122.0700	0.820	2	122.0700	0.673	2	122.1062	0.421	20	122.1062	0.421	20	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]H)2(CC[5a]S)	S(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]H)2(CC[5a]S){1|C<3>,2|H<1>}	S(CC[5a]C[6a])	118.3580	0.936	2	118.3580	0.876	2	118.3580	0.876	2	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(S)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(S)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)	118.9225	1.273	2	118.9225	1.622	2	118.9225	1.622	2	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a]C)2(CC[6a]S)	S(CC[6a]2)	C(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a]C)2(CC[6a]S){1|C<3>,2|H<1>}	S(CC[6a]2)	119.3430	0.195	2	119.3430	0.038	2	121.1037	4.231	4	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a]H)2(CC[6a]S)	S(CC[6a]2)	C(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a]H)2(CC[6a]S){1|C<3>,2|H<1>}	S(CC[6a]2)	122.8645	0.503	2	122.8645	0.253	2	121.1037	4.231	4	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|H<1>,1|O<2>}	S(CC[6a]N)	119.7240	0.000	1	119.0468	1.212	10	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	S(CC[6a]N)	118.9716	1.140	9	119.0468	1.212	10	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|H<1>,1|P<4>}	S(CC[6a]N)	120.4770	0.000	1	120.7051	0.638	12	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	S(CC[6a]N)	120.9749	0.856	8	120.7051	0.638	12	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|N<2>,2|H<1>}	S(CC[6a]N)	120.0000	0.000	1	120.7051	0.638	12	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|N<2>,2|N<3>}	S(CC[6a]N)	120.0925	0.117	2	120.7051	0.638	12	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CNS){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	S(CC[6a]N)	121.0120	0.635	4	121.0120	0.403	4	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]O)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]O)2(CNS){1|C<3>,2|H<1>}	S(CC[6a]N)	120.0430	0.726	4	120.0430	0.528	4	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<7>,2|C<3>}	S(CC[6a]N)	119.6800	0.000	1	119.6800	0.000	1	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNS){1|C<3>,2|H<1>}	S(CC[6a]N)	118.4086	0.624	5	118.4086	0.389	5	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	S(CC[6a]N)	120.8303	0.669	7	120.8303	0.448	7	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CNS){2|C<3>}	S(CC[6a]N)	122.6570	0.000	1	122.6570	0.000	1	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS){1|C<3>,1|H<1>,1|O<2>}	S(CC[6a]N)	118.8720	0.000	1	118.8720	0.000	1	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|H<1>,1|N<3>}	S(CC[6a]N)	121.2730	0.000	1	121.3154	0.594	5	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|H<1>,1|O<2>}	S(CC[6a]N)	121.2500	0.000	1	121.3154	0.594	5	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	S(CC[6a]N)	121.3513	1.087	3	121.3154	0.594	5	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]O)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]O)2(CNS){1|C<3>,2|H<1>}	S(CC[6a]N)	118.9115	0.678	4	118.9115	0.460	4	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNS){2|C<3>}	S(CC[6a]N)	121.6510	0.000	1	121.6510	0.000	1	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNS){1|C<3>,2|H<1>}	S(CC[6a]N)	120.3255	0.531	2	120.3255	0.282	2	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNS){1|C<3>,2|H<1>}	S(CC[6a]N)	120.3505	0.730	6	120.3505	0.532	6	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNS){1|C<3>,2|H<1>}	S(CC[6a]N)	120.8990	0.000	1	120.8990	0.000	1	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNS){1|C<3>,2|H<1>}	S(CC[6a]N)	120.3430	0.000	1	120.3430	0.000	1	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS){1|C<3>,2|H<1>}	S(CC[6a]N)	121.7110	0.454	2	121.7110	0.206	2	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|C<4>,1|H<1>}	S(CC[6a]N)	121.7955	0.555	2	121.7995	0.313	46	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|F<1>,1|H<1>}	S(CC[6a]N)	121.9185	0.255	4	121.7995	0.313	46	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|H<1>,1|N<3>}	S(CC[6a]N)	121.5796	0.217	5	121.7995	0.313	46	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|H<1>,1|O<2>}	S(CC[6a]N)	121.9975	0.699	2	121.7995	0.313	46	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	S(CC[6a]N)	121.9192	0.536	27	121.7995	0.313	46	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<4>,1|H<1>,1|N<2>}	S(CC[6a]N)	120.6800	0.000	1	121.7995	0.313	46	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|Cl<1>,1|C<3>,1|H<1>}	S(CC[6a]N)	122.8810	0.000	1	121.7995	0.313	46	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|H<1>,2|C<3>}	S(CC[6a]N)	121.1105	0.241	2	121.7995	0.313	46	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|N<2>,2|H<1>}	S(CC[6a]N)	121.0490	0.000	1	121.7995	0.313	46	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|N<2>,2|N<3>}	S(CC[6a]N)	120.9690	0.000	1	121.7995	0.313	46	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHN)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS)	S(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS){1|C<3>,2|H<1>}	S(CC[6a]N)	122.8480	0.000	1	122.8480	0.000	1	120.8696	1.644	114	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]S)	S(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]S){1|C<3>,2|H<1>}	S(CC[6a]N[5])	120.5740	0.000	1	120.5740	0.000	1	119.7277	0.292	7	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]S)	S(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]S){1|C<3>,1|H<1>,1|N<3>}	S(CC[6a]N[5])	119.6630	0.000	1	119.6630	0.000	1	119.7277	0.292	7	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(S)	C[6a](C[6a]C[6a]H)2(CN[5]S)	S(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(S)	C[6a](C[6a]C[6a]H)2(CN[5]S){1|C<3>,2|H<1>}	S(CC[6a]N[5])	119.5714	0.477	5	119.5714	0.227	5	119.7277	0.292	7	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(S)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CN[6]S)	S(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(S)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CN[6]S){2|C<3>}	S(CC[6a]N[6])	116.4600	0.000	1	116.4600	0.000	1	117.7273	1.348	3	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(S)	C[6a](C[6a]C[6a]H)2(CN[6]S)	S(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(S)	C[6a](C[6a]C[6a]H)2(CN[6]S){1|C<3>,2|H<1>}	S(CC[6a]N[6])	118.3610	0.536	2	118.3610	0.287	2	117.7273	1.348	3	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	N[5,5]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5,5]C[5,5,6]2)(C[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]H)2(CN[5,5]S)	S(CN[5,5]C[6a])	C(N[5,5]C[5,5,6]2)(C[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]H)2(CN[5,5]S){1|C<3>,2|H<1>}	S(CN[5,5]C[6a])	120.0534	0.804	8	120.0534	0.646	8	120.0534	0.646	8	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:3:1:	3:3:3:	3:	N[6]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]H)2(CN[6]S)	S(CC[6a]N[6])	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]H)2(CN[6]S){1|C<3>,2|H<1>}	S(CC[6a]N[6])	119.0070	0.943	2	119.0070	0.890	2	119.0070	0.890	2	120.6185	1.938	142	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC3)(S)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)	C(C[6a]C[6a]2)(CC3)(S)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)	117.5220	0.000	1	117.5220	0.000	1	118.7237	0.653	4	118.5864	0.584	5	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]CN)(S)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]CN)(S)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)	119.1243	0.132	3	119.1243	0.017	3	118.7237	0.653	4	118.5864	0.584	5	120.7322	3.029	192	120.7322	3.029	192
930	643	977	0:SP2_SP-NON_SP2	C	C[6a]	S	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(S)	C[6a](C[6a]C[6a]H)2(CC[6]S)	S(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2C)(S)	C[6a](C[6a]C[6a]H)2(CC[6]S){1|C<3>,2|H<1>}	S(CC[6a]C[6])	118.0370	0.000	1	118.0370	0.000	1	118.0370	0.000	1	118.5864	0.584	5	120.7322	3.029	192	120.7322	3.029	192
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:2:3:	3:1:	C[6a]-3:C-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:	C(C[6a]C[6a]N[6a])(CH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(H)	114.7120	0.000	1	114.7120	0.000	1	114.7120	0.000	1	114.7120	0.000	1	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:1:	C[6a]-3:C-2:C-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)(C)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CN)(C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	119.8860	0.000	1	119.8860	0.000	1	119.8860	0.000	1	120.6725	1.237	2	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:1:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[6a]2)(CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(H)	C(C[6a]C[6a]2)(CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]H)(H)	121.4590	0.000	1	121.4590	0.000	1	121.4590	0.000	1	120.6725	1.237	2	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:2:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CRu)	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CRu)	127.4260	0.000	1	127.4260	0.000	1	127.4260	0.000	1	117.3925	3.125	39	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:2:	C[6a]-3:C-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a,6a]C[6a])(CC)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CAu)	C(C[6a]C[6a,6a]C[6a])(CC)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(CC[6a]O)(CAu)	117.0730	0.551	5	117.0730	0.303	5	116.9085	0.229	8	117.3925	3.125	39	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:2:	C[6a]-3:C-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a,6a]C[6a])(CC)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CC)	C(C[6a]C[6a,6a]C[6a])(CC)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(CC[6a]O)(CC)	116.6255	0.176	2	116.6255	0.031	2	116.9085	0.229	8	117.3925	3.125	39	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:2:	C[6a]-3:C-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a,6a]C[6a])(CC)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CC[6a])	C(C[6a]C[6a,6a]C[6a])(CC)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(CC[6a]O)(CC[6a])	116.6520	0.000	1	116.6520	0.000	1	116.9085	0.229	8	117.3925	3.125	39	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:2:	C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(CC[5])	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[5])	117.9140	0.000	1	117.9140	0.000	1	117.1871	0.459	30	117.3925	3.125	39	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:2:	C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CC)	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC)	117.5333	0.337	3	117.5333	0.113	3	117.1871	0.459	30	117.3925	3.125	39	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:2:	C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CC[5])	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]O)(CC[5])	119.1580	0.000	1	117.0916	0.629	14	117.1871	0.459	30	117.3925	3.125	39	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:2:	C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CC[5])	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[5])	116.9327	0.546	13	117.0916	0.629	14	117.1871	0.459	30	117.3925	3.125	39	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:2:	C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CC[5a])	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[5a])	117.7155	0.771	2	117.7155	0.595	2	117.1871	0.459	30	117.3925	3.125	39	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:2:	C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CC[6a])	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[6a])	116.9064	0.408	5	116.9064	0.166	5	117.1871	0.459	30	117.3925	3.125	39	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:2:	C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CH)	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CH)	117.3590	0.180	3	117.3590	0.032	3	117.1871	0.459	30	117.3925	3.125	39	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:2:	C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CN)	116.0640	0.000	1	116.0640	0.000	1	117.1871	0.459	30	117.3925	3.125	39	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:2:	C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CC[6a])	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>}	C(CC[6a]O)(CC[6a])	117.7130	0.000	1	117.7130	0.000	1	117.1871	0.459	30	117.3925	3.125	39	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:3:	C[6a]-3:C-2:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	C(CC[6a]Br)(CC[6a]2)	C(C[6a]C[6a]2)(CC)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	C(CC[6a]Br)(CC[6a]2)	128.5780	0.000	1	128.5780	0.000	1	128.5780	0.000	1	125.5039	6.106	20	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:3:	C[6a]-3:C-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a,6a]2)(CC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(CC[6a]H)(CHH)	C(C[6a]C[6a,6a]2)(CC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(CC[6a]H)(CHH)	126.0160	0.000	1	126.0160	0.000	1	126.0160	0.000	1	125.5039	6.106	20	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]N)	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]N)	126.0990	0.177	2	126.0990	0.031	2	125.5947	0.777	15	125.5039	6.106	20	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CHH)	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(CHH)	124.5730	0.000	1	124.5730	0.000	1	125.5947	0.777	15	125.5039	6.106	20	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5a]C[6a])(CC[6a]H)	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CC[6a]H)	126.2750	0.000	1	126.2750	0.000	1	125.5947	0.777	15	125.5039	6.106	20	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]H)	125.6590	0.000	1	125.6590	0.000	1	125.5947	0.777	15	125.5039	6.106	20	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]H)	125.6450	1.024	2	125.6450	1.048	2	125.5947	0.777	15	125.5039	6.106	20	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCC)	124.2990	0.000	1	124.2990	0.000	1	125.5947	0.777	15	125.5039	6.106	20	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCH)	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCH)	126.1910	0.000	1	126.1910	0.000	1	125.5947	0.777	15	125.5039	6.106	20	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]N)	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]N)	125.4325	0.018	2	125.4325	0.000	2	125.5947	0.777	15	125.5039	6.106	20	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]P)	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]P)	126.1210	0.000	1	126.1210	0.000	1	125.5947	0.777	15	125.5039	6.106	20	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHH)	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHH)	125.9290	0.000	1	125.9290	0.000	1	125.5947	0.777	15	125.5039	6.106	20	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)	126.8540	0.000	1	126.8540	0.000	1	125.5947	0.777	15	125.5039	6.106	20	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CSiC)	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CSiC)	123.6670	0.000	1	123.6670	0.000	1	125.5947	0.777	15	125.5039	6.106	20	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:	C(C[6a]C[6a]2)(CC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)	130.3770	0.000	1	130.3770	0.000	1	130.3770	0.000	1	125.5039	6.106	20	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:3:	C[6a]-3:C-2:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(I)	C[6a](C[6a]C[6a]H)2(CCI)	C(CC[6a]I)(CCC)	C(C[6a]C[6a]2)(CC)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	C(CC[6a]I)(CCC)	124.0070	0.000	1	124.0070	0.000	1	124.0070	0.000	1	125.5039	6.106	20	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:3:	C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a])(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5a]C[5a]S[5a])(CC[6a]O)	C(C[6a]C[6a]2)(CC[5a])(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(CC[6a]O)	117.1790	0.000	1	117.1790	0.000	1	117.1790	0.000	1	125.5039	6.106	20	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:1:	3:3:3:	4:3:	C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]C[5]H)(CC[6a]O)	117.9870	0.000	1	117.9870	0.000	1	117.9870	0.000	1	117.9870	0.000	1	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:2:3:	3:1:	C[6a]-3:C-2:C-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-1:	C(C[6a]C[6a]N[6a])(CN)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]N[6a])(CN)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC){1|C<2>,2|C<3>}	C(CC[6a]C)(N)	122.7216	3.894	10	122.6656	13.087	12	122.6656	13.087	12	121.9539	14.356	14	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:2:3:	3:1:	C[6a]-3:C-2:C-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-1:	C(C[6a]C[6a]N[6a])(CN)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]N[6a])(CN)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]C)(N)	122.3855	2.708	2	122.6656	13.087	12	122.6656	13.087	12	121.9539	14.356	14	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:2:3:	3:1:	C[6a]-3:C-2:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-1:	C(C[6a]C[6a]N[6a])(CN)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(CC[6a]N)(N)	C(C[6a]C[6a]N[6a])(CN)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(N)	117.6840	0.363	2	117.6840	0.132	2	117.6840	0.132	2	121.9539	14.356	14	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:2:3:	3:2:	C[6a]-3:C-2:C-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:	C(C[6a]C[6a]N[6a])(CN)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC)	C(CC[6a]C)(NLi)	C(C[6a]C[6a]N[6a])(CN)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC){1|C<2>,2|C<3>}	C(CC[6a]C)(NLi)	123.1835	3.455	4	123.1835	11.937	4	123.1835	11.937	4	123.1835	11.937	4	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C-3:N-1:	C(C[6a]C[5a,6a]2)(CN)2	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[5a,6a]2)(CN)2	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CCC){1|C<3>,2|N<2>,2|S<2>}	C(CC[6a]C)(N)	123.9557	1.393	8	123.9557	1.940	8	123.9557	1.940	8	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[5a,6a]C[6a])(CN)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[5a,6a]C[6a])(CN)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CCC){1|H<1>,1|S<2>,3|C<3>}	C(CC[6a]C)(N)	122.9715	2.452	2	122.9715	6.010	2	122.9763	4.036	6	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[5a,6a]C[6a])(CN)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[5a,6a]C[6a])(CN)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(CCC){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	C(CC[6a]C)(N)	122.5555	3.666	2	122.5555	13.442	2	122.9763	4.036	6	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[5a,6a]C[6a])(CN)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[5a,6a]C[6a])(CN)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(CCC){4|C<3>}	C(CC[6a]C)(N)	123.4020	0.107	2	123.4020	0.012	2	122.9763	4.036	6	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a,6a]2)(CN)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a,6a]2)(CN)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCC){2|H<1>,5|C<3>}	C(CC[6a]C)(N)	123.4418	0.922	24	123.4418	0.851	24	123.4418	0.851	24	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a,6a]C[6a])(CN)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a,6a]C[6a])(CN)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]H)(CCC){1|H<1>,1|N<3>,3|C<3>}	C(CC[6a]C)(N)	123.3735	5.185	2	123.3735	26.886	2	123.3735	26.886	2	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6])(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6])(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	115.8897	1.537	3	115.8897	2.362	3	122.3674	1.808	1062	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]C)(N)	120.9715	0.518	2	120.9715	0.269	2	122.3674	1.808	1062	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]C)(N)	124.0927	4.217	4	124.0927	17.780	4	122.3674	1.808	1062	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]C)(N)	123.8977	3.078	12	123.8977	9.476	12	122.3674	1.808	1062	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCC){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]C)(N)	123.8666	4.667	8	123.8666	21.780	8	122.3674	1.808	1062	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCC){1|C<3>,1|F<1>,1|H<1>}	C(CC[6a]C)(N)	122.8415	2.468	36	122.8415	6.089	36	122.3674	1.808	1062	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]F)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	C(CC[6a]C)(N)	123.3299	0.916	231	123.3323	0.834	233	122.3674	1.808	1062	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]F)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	123.6040	0.396	2	123.3323	0.834	233	122.3674	1.808	1062	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]C)(N)	123.4405	4.126	6	123.4405	17.026	6	122.3674	1.808	1062	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCC){1|C<3>,1|H<1>,1|S<2>}	C(CC[6a]C)(N)	123.8905	6.051	2	123.8905	36.611	2	122.3674	1.808	1062	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|C<4>}	C(CC[6a]C)(N)	120.9585	0.874	4	122.0151	0.738	756	122.3674	1.808	1062	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|F<1>}	C(CC[6a]C)(N)	121.4535	1.378	2	122.0151	0.738	756	122.3674	1.808	1062	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	122.0222	0.855	750	122.0151	0.738	756	122.3674	1.808	1062	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:C-2:	C[6a]-3:N[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]N[6a])(CN)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]N[6a])(CN)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCC){1|C<3>,1|C<4>,1|O<1>}	C(CC[6a]C)(N)	123.8690	3.835	2	123.8690	14.710	2	123.8690	14.710	2	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(N)	C(C[6a]C[6a]2)(CN)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]N)(N)	116.9340	0.000	1	116.9340	0.000	1	118.8475	1.223	33	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(N)	C(C[6a]C[6a]2)(CN)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(N)	116.7110	0.000	1	116.7110	0.000	1	118.8475	1.223	33	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN)	C(CC[6a]N)(N)	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(N)	120.8280	0.765	3	120.8280	0.585	3	118.8475	1.223	33	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCN)	C(CC[6a]N)(N)	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCN){1|C<3>,1|H<1>}	C(CC[6a]N)(N)	118.8780	0.000	1	118.8780	0.000	1	118.8475	1.223	33	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(N)	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(N)	118.7663	0.914	22	118.7763	0.685	27	118.8475	1.223	33	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(N)	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]N)(N)	118.8217	0.159	3	118.7763	0.685	27	118.8475	1.223	33	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(N)	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|N<2>,2|H<1>}	C(CC[6a]N)(N)	118.8190	0.481	2	118.7763	0.685	27	118.8475	1.223	33	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:N-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(NC[6a])(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	C(CC[6a]N)(N)	C(C[6a]C[6a]2)(NC[6a])(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(N)	115.9550	0.561	2	115.9550	0.315	2	115.8704	0.811	5	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:N-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(NC[6a])(CN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(N)	C(C[6a]C[6a]2)(NC[6a])(CN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(N)	115.8140	1.205	3	115.8140	1.452	3	115.8704	0.811	5	122.2786	2.387	1142	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:2:	C[6a]-3:C-2:C-2:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a,6a]2)(CC)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCC)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a,6a]2)(CC)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCC){2|H<1>,5|C<3>}	C(CC[6a]C)(CC[6a])	122.8167	0.974	16	122.8167	0.948	16	122.9622	1.019	20	121.4112	2.179	71	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:2:	C[6a]-3:C-2:C-2:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a,6a]2)(CC)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCC)	C(CC[6a]C)(CSi)	C(C[6a]C[6a,6a]2)(CC)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCC){2|H<1>,5|C<3>}	C(CC[6a]C)(CSi)	123.5440	1.071	4	123.5440	1.148	4	122.9622	1.019	20	121.4112	2.179	71	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:2:	C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC)	120.8262	0.915	44	120.8262	0.838	44	120.8395	0.827	45	121.4112	2.179	71	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:2:	C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CSi)	C(C[6a]C[6a]2)(CC)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CSi)	121.4240	0.000	1	121.4240	0.000	1	120.8395	0.827	45	121.4112	2.179	71	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:2:	C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]F)2(CCC)	C(CC[6a]C)(NRe)	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	C(CC[6a]C)(NRe)	122.4135	0.916	2	122.4135	0.839	2	121.7338	0.966	4	121.4112	2.179	71	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:2:	C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NCu)	C(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCu)	121.0540	0.458	2	121.0540	0.210	2	121.7338	0.966	4	121.4112	2.179	71	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:2:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CC[6a])	C(C[6a]C[6a]2)(CC)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[6a])	120.2440	0.000	1	120.2440	0.000	1	120.2440	0.000	1	121.4112	2.179	71	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:2:	C[6a]-3:P-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(PC[6a])(CC)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]P)(CC)	C(C[6a]C[6a]2)(PC[6a])(CC)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(CC)	115.9960	0.000	1	115.9960	0.000	1	115.9960	0.000	1	121.4112	2.179	71	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:3:	C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:	C(C[6a]C[6a]2)(CC[6])(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6]C[6]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6])(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]C)	126.4293	1.847	3	126.4293	3.411	3	126.4293	3.411	3	125.2918	4.212	5	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:2:2:	3:3:3:	3:3:	C[6a]-3:C-2:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)2	C(C[6a]C[6a]2)(CC)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)2	123.5855	0.566	2	123.5855	0.321	2	123.5855	0.321	2	125.2918	4.212	5	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	2:3:3:	3:1:	C[5]-3:C[6a]-3:C-2:	N[6a]-2:N[6a]-3:C-3:	C-3:N-1:	C(C[5]C[5]N[5])(C[6a]N[6a]2)(CN)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[5]C)	C(CC[6a]C[5])(N)	C(C[5]C[5]N[5])(C[6a]N[6a]2)(CN)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[5]C){1|O<1>,2|C<3>}	C(CC[6a]C[5])(N)	116.1290	0.000	1	116.1290	0.000	1	116.1290	0.000	1	114.9770	2.654	2	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	2:3:3:	3:1:	C[6a]-3:C[5]-3:C-2:	N[6a]-2:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]C)	C(CC[6a]C[5])(N)	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]C){1|H<1>,2|C<3>}	C(CC[6a]C[5])(N)	113.8250	0.000	1	113.8250	0.000	1	113.8250	0.000	1	114.9770	2.654	2	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-1:	C(C[6a]C[6a]N[6a])(CCN)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]N[6a])(CCN)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	116.8820	0.000	1	116.8820	0.000	1	116.2091	1.198	11	116.2091	1.198	11	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-1:	C(C[6a]C[6a]N[6a])(CC[5]H)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]N[6a])(CC[5]H)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	115.4890	0.000	1	115.4890	0.000	1	116.2091	1.198	11	116.2091	1.198	11	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	115.5442	0.266	5	115.5442	0.071	5	116.2091	1.198	11	116.2091	1.198	11	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-1:	C(C[6a]C[6a]N[6a])(CC[6a]N)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]N[6a])(CC[6a]N)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	115.8695	0.015	2	115.8695	0.000	2	116.2091	1.198	11	116.2091	1.198	11	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-1:	C(C[6a]C[6a]N[6a])(CHN)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]N[6a])(CHN)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	118.2345	0.274	2	118.2345	0.075	2	116.2091	1.198	11	116.2091	1.198	11	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[5]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(N)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(N)	114.2150	0.000	1	114.2150	0.000	1	114.8704	0.560	7	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[5]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(N)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(N)	115.0210	0.001	2	115.0210	0.000	2	114.8704	0.560	7	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[5]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(N)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(N)	114.9590	0.975	4	114.9590	0.951	4	114.8704	0.560	7	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(N)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(N)	111.5760	0.000	1	111.5760	0.000	1	112.6460	2.290	2	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(N)	113.7160	0.000	1	113.7160	0.000	1	112.6460	2.290	2	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6]C[6]S[6])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(CC[6a]C[6])(N)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(CC[6a]C[6])(N)	116.3350	0.000	1	116.3350	0.000	1	116.3350	0.000	1	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CCC)(CN)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CCC)(CN)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	C(CC[6a]C)(N)	116.1440	0.277	2	116.1440	0.077	2	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CCC)(CN)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CCC)(CN)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CCC){1|H<1>,2|C<3>}	C(CC[6a]C)(N)	118.5830	0.000	1	118.5830	0.000	1	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CCH)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CCH)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	116.4673	0.802	3	116.3725	0.465	4	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CCH)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CCH)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|N<2>,2|H<1>}	C(CC[6a]C)(N)	116.0880	0.000	1	116.3725	0.465	4	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CCI)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CCI)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	C(CC[6a]C)(N)	113.8150	0.000	1	113.8150	0.000	1	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CCN)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CCN)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]C)(N)	116.7030	0.000	1	116.8165	0.026	2	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CCN)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CCN)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	116.9300	0.000	1	116.8165	0.026	2	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CCO)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CCO)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]C)(N)	116.1235	0.021	2	116.1235	0.000	2	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	114.6400	0.000	1	114.6400	0.000	1	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]F)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	C(CC[6a]C)(N)	116.6310	0.000	1	116.6310	0.000	1	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	115.4010	1.181	3	115.3790	0.932	4	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|N<2>,2|H<1>}	C(CC[6a]C)(N)	115.3130	0.000	1	115.3790	0.932	4	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]F)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	C(CC[6a]C)(N)	116.4780	1.048	2	116.4780	1.098	2	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]C)(N)	116.6990	0.000	1	115.5435	0.801	13	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	115.3117	0.744	9	115.5435	0.801	13	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|O<2>}	C(CC[6a]C)(N)	115.8540	1.241	3	115.5435	0.801	13	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5a]O)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5a]O)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	116.2913	1.351	3	116.2913	1.825	3	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5a]S)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5a]S)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]C)(N)	115.1365	0.016	2	115.1365	0.000	2	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	113.3965	0.999	12	113.3965	0.998	12	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]C)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]C)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	114.7841	0.953	9	114.7841	0.907	9	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	C(CC[6a]C)(N)	115.8890	0.000	1	115.8890	0.000	1	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]Br)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]Br)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	116.4273	0.729	3	116.4273	0.532	3	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	116.1600	1.341	2	116.1600	1.797	2	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	116.2207	1.319	3	116.2207	1.739	3	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCC){1|C<3>,1|H<1>}	C(CC[6a]C)(N)	114.7065	0.515	4	114.7065	0.266	4	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]C)(N)	115.0660	0.000	1	115.0328	0.736	106	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|F<1>,1|H<1>}	C(CC[6a]C)(N)	114.7780	0.000	1	115.0328	0.736	106	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]C)(N)	114.9940	0.000	1	115.0328	0.736	106	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|C<4>}	C(CC[6a]C)(N)	114.8035	1.094	2	115.0328	0.736	106	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|F<1>}	C(CC[6a]C)(N)	116.0690	0.000	1	115.0328	0.736	106	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	115.0502	0.878	94	115.0328	0.736	106	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|O<2>}	C(CC[6a]C)(N)	114.0640	0.000	1	115.0328	0.736	106	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]C)(N)	115.0130	0.310	2	115.0328	0.736	106	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|N<2>,2|H<1>}	C(CC[6a]C)(N)	114.7197	0.946	3	115.0328	0.736	106	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]O)(CN)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]O)(CN)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCC){1|C<3>,2|C<4>,2|H<1>}	C(CC[6a]C)(N)	114.8420	0.000	1	114.8420	0.000	1	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]C)(N)	114.1840	0.000	1	116.3650	4.884	3	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	117.4555	1.623	2	116.3650	4.884	3	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	113.9970	0.621	2	113.9970	0.385	2	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CHN)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CHN)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	118.0140	0.042	2	118.0140	0.002	2	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CHO)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CHO)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	118.7590	0.000	1	118.7590	0.000	1	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CNN)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CNN)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	116.7190	0.000	1	116.7190	0.000	1	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CPP)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CPP)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	114.8250	0.000	1	114.8250	0.000	1	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CSS)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CSS)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(N)	114.1350	0.000	1	114.1350	0.000	1	115.1983	1.395	190	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(CC[6a]C[6])(N)	C(C[6a]C[6a]2)(C[6]C[6]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(CC[6a]C[6])(N)	116.2740	0.426	2	116.2740	0.181	2	116.2740	0.181	2	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:N[6]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(N[6]C[6]2)(CN)	C[6a](C[6a]C[6a]H)2(CN[6]C)	C(CC[6a]N[6])(N)	C(C[6a]C[6a]2)(N[6]C[6]2)(CN)	C[6a](C[6a]C[6a]H)2(CN[6]C){1|C<3>,2|H<1>}	C(CC[6a]N[6])(N)	114.7930	0.000	1	114.7930	0.000	1	114.7930	0.000	1	115.1761	1.420	203	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[5]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CC[6a])	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CC[6a])	114.5290	0.000	1	114.5290	0.000	1	114.4435	0.015	2	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[5]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CC[6a])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CC[6a])	114.3580	0.000	1	114.3580	0.000	1	114.4435	0.015	2	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(CC)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CC)	119.9940	0.819	2	119.9940	0.670	2	119.9940	0.670	2	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(NC[6a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(NC[6a])	118.5355	1.378	2	118.5355	1.899	2	118.5355	1.899	2	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CBr2)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CBr2)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC)	116.5690	0.000	1	116.5690	0.000	1	115.8909	1.855	25	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CBr2)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CBr2)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a])	115.9370	0.000	1	115.9370	0.000	1	115.8909	1.855	25	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CCH)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CCH)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a])	116.6840	0.956	5	116.6840	0.915	5	115.8909	1.855	25	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CCH)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH)	C(C[6a]C[6a]2)(CCH)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH)	117.2240	0.000	1	117.2240	0.000	1	115.8909	1.855	25	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CCH)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CSi)	C(C[6a]C[6a]2)(CCH)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CSi)	116.8220	0.000	1	116.8220	0.000	1	115.8909	1.855	25	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CCS)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CCS)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a])	113.7650	1.112	4	113.7650	1.236	4	115.8909	1.855	25	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC[6]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CC[6]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	C(CC[6a]C)(CC[6a])	116.3410	0.000	1	116.3410	0.000	1	115.8909	1.855	25	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC[6]H)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[5])	C(C[6a]C[6a]2)(CC[6]H)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[5])	116.6040	0.000	1	116.6040	0.000	1	115.8909	1.855	25	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CC[6a]C)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a])	116.3370	0.964	2	116.3370	0.930	2	115.8909	1.855	25	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CSi)	C(C[6a]C[6a]2)(CC[6a]C)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CSi)	114.8015	0.381	2	114.8015	0.145	2	115.8909	1.855	25	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]H)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH)	C(C[6a]C[6a]2)(CC[6a]H)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH)	115.6060	0.000	1	115.6060	0.000	1	115.8909	1.855	25	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CHH)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CHH)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a])	118.6780	0.000	1	118.6780	0.000	1	115.8909	1.855	25	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CRuC)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CRuC)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC)	116.0470	0.000	1	116.0470	0.000	1	115.8909	1.855	25	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CRuC)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CRuC)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a])	115.5405	0.276	2	115.5405	0.076	2	115.8909	1.855	25	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CRuC)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CSi)	C(C[6a]C[6a]2)(CRuC)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CSi)	115.6060	0.000	1	115.6060	0.000	1	115.8909	1.855	25	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(CC)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC)	118.1495	0.803	4	118.1495	0.645	4	119.3643	1.847	47	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC)	119.1476	0.720	19	119.1476	0.518	19	119.3643	1.847	47	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(COs)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(COs)	119.9960	1.952	4	119.9960	3.812	4	119.3643	1.847	47	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CRe)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CRe)	118.7837	0.715	4	118.7837	0.511	4	119.3643	1.847	47	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CRu)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CRu)	119.9126	1.754	16	119.9126	3.077	16	119.3643	1.847	47	118.1198	4.720	78	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	B[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CB[6a]C)	C(CB[6a]C[6a])(CCC)	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CB[6a]C){1|C<3>,2|H<1>}	C(CB[6a]C[6a])(CCC)	119.6300	0.000	1	119.6300	0.000	1	119.6300	0.000	1	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(CC[6a]C[3])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CC[6a]C[3])	117.5560	0.000	1	117.5560	0.000	1	120.9478	3.972	5	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(CC[6a]H)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CC[6a]H)	122.6040	0.000	1	122.6040	0.000	1	120.9478	3.972	5	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(CN[5a]Si)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CN[5a]Si)	121.2025	0.076	2	121.2025	0.006	2	120.9478	3.972	5	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(CC[6a]2)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CC[6a]2)	122.1740	0.000	1	122.1740	0.000	1	120.9478	3.972	5	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CCC)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)2	C(C[6a]C[6a]2)(CCC)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)2	120.8600	0.000	1	120.8600	0.000	1	119.8197	4.965	7	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CCO)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHH)	C(C[6a]C[6a]2)(CCO)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]C)(CHH)	120.7420	0.000	1	120.7420	0.000	1	119.8197	4.965	7	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CCP)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a]P)	C(C[6a]C[6a]2)(CCP)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]P)	115.6060	0.000	1	115.6060	0.000	1	119.8197	4.965	7	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC[5]C)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[5]C)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)	117.8840	0.000	1	117.8840	0.000	1	119.8197	4.965	7	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CNO)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CNO)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]C)	121.3040	0.000	1	121.3040	0.000	1	119.8197	4.965	7	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(COO)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CHH)	C(C[6a]C[6a]2)(COO)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHH)	121.6710	0.000	1	121.6710	0.000	1	119.8197	4.965	7	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(COO)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)2	C(C[6a]C[6a]2)(COO)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)2	120.6710	0.000	1	120.6710	0.000	1	119.8197	4.965	7	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CC[6a]C)	C(CC[6a]2)2	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CC[6a]C){1|H<1>,2|C<3>}	C(CC[6a]2)2	118.8260	0.000	1	118.8260	0.000	1	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)2	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)2	118.0100	0.000	1	118.0100	0.000	1	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(CBrSi)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CBrSi)	118.6720	0.950	2	118.6720	0.903	2	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(CCC)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]2)(CCC)	120.7990	0.000	1	120.7990	0.000	1	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]H)	118.5305	0.520	2	118.5305	0.270	2	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]Br)(CC[6a]2)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]Br)(CC[6a]2)	117.7365	0.490	2	117.7365	0.240	2	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C(CC[6a]2)(CN[5a]H)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CN[5a]H)	119.8810	0.000	1	119.8810	0.000	1	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C(CN[5a]Si)(CC[6a]2)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	C(CN[5a]Si)(CC[6a]2)	119.3970	0.000	1	119.3970	0.000	1	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]C)	C(CC[6a]2)2	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)2	119.9775	0.811	2	119.9775	0.658	2	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[5a]C[6a])(CC[6a]2)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CC[6a]2)	119.4975	4.737	2	119.4975	22.438	2	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CBH)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CBH)	119.9090	0.844	2	119.9090	0.713	2	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCC)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCC)	120.3084	0.900	7	120.3084	0.810	7	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]C)	119.1905	0.177	2	119.1905	0.032	2	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]N)	120.5594	3.114	8	120.5594	9.697	8	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC[6a]P)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]P)	119.3325	1.535	2	119.3325	2.357	2	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC[6a]S)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]S)	119.6725	1.698	2	119.6725	2.882	2	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CN[5a]H)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CN[5a]H)	120.5700	0.000	1	120.5700	0.000	1	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)2	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]2)2	121.3230	0.000	1	120.5073	1.898	10	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)2	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)2	120.4167	1.429	9	120.5073	1.898	10	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]C[4])(CC[6a]2)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]C[4])(CC[6a]2)	119.8495	3.613	2	119.8495	13.051	2	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]C[5])(CC[6a]2)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CC[6a]2)	118.7525	1.825	2	118.7525	3.331	2	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]N[5a])(CC[6a]2)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(CC[6a]2)	119.8400	1.363	2	119.8400	1.859	2	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CN[5a]Si)(CC[6a]2)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CN[5a]Si)(CC[6a]2)	120.0380	1.343	7	120.0380	1.803	7	119.8609	3.030	62	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[3]-3:C-3:	C(C[6a]C[6a]2)2(CC[3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C(C[3]C[3]2)(CC[6a]2)	C(C[6a]C[6a]2)2(CC[3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|Br<1>,1|C<3>,1|H<1>}	C(C[3]C[3]2)(CC[6a]2)	120.7305	0.120	2	120.7305	0.014	2	120.0472	1.578	8	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[3]-3:C-3:	C(C[6a]C[6a]2)2(CC[3])	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[3]C[3]2)(CC[6a]2)	C(C[6a]C[6a]2)2(CC[3])	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[3]C[3]2)(CC[6a]2)	119.8195	1.399	6	119.8195	1.957	6	120.0472	1.578	8	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[4]-3:C-3:	C(C[6a]C[6a]2)2(CC[4])	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[4]C[4]2)(CC[6a]2)	C(C[6a]C[6a]2)2(CC[4])	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[4]C[4]2)(CC[6a]2)	120.2435	2.528	2	120.2435	6.390	2	120.2435	6.390	2	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[4a]-3:C-3:	C(C[6a]C[6a]2)2(CC[4a])	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[4a]C[4a,6a]C[4a])(CC[6a]2)	C(C[6a]C[6a]2)2(CC[4a])	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[4a]C[4a,6a]C[4a])(CC[6a]2)	119.1085	1.244	4	119.1085	1.547	4	119.1085	1.547	4	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:	C(C[6a]C[6a]2)2(CC[6])	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6]C[4,6]C[6])(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6])	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6]C[4,6]C[6])(CC[6a]2)	119.4825	0.954	2	119.4825	0.910	2	120.1137	2.849	8	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:	C(C[6a]C[6a]2)2(CC[6])	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6]C[6,6a]C[6])(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6])	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(CC[6a]2)	120.3242	1.896	6	120.3242	3.594	6	120.1137	2.849	8	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NCS)(CC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]H)(CC[6a]N)	C(C[6a]C[6a]2)(NCS)(CC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]N)	124.3200	0.185	2	124.3200	0.034	2	123.1279	4.583	9	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NCS)(CC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CHH)	C(C[6a]C[6a]2)(NCS)(CC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CHH)	124.5745	0.381	2	124.5745	0.145	2	123.1279	4.583	9	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]P)(CC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]P)(CC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]N)	120.2920	0.000	3	120.2920	0.000	3	123.1279	4.583	9	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NSS)(CC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]H)(CC[6a]N)	C(C[6a]C[6a]2)(NSS)(CC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]N)	124.7430	0.337	2	124.7430	0.113	2	123.1279	4.583	9	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:P-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP)	C(CC[6a]P)2	C(C[6a]C[6a]2)(PC[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)2	122.4220	0.000	1	122.4220	0.000	1	122.4220	0.000	1	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:	N[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(CC[6a]2)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(CC[6a]2)	124.8350	0.000	1	124.8350	0.000	1	124.8350	0.000	1	120.2602	4.006	108	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:2:3:	3:1:	C[6a]-3:S-4:C-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-1:	C(C[6a]C[6a]N[6a])(SCCO)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCS)	C(CC[6a]S)(N)	C(C[6a]C[6a]N[6a])(SCCO)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(N)	122.8010	0.000	1	122.8010	0.000	1	122.8010	0.000	1	122.8010	0.000	1	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:C-2:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:	C(C[6a]C[6a]N[6a])(CC3)(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(CC[6a]C)2	C(C[6a]C[6a]N[6a])(CC3)(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]C)2	118.1530	0.069	2	118.1530	0.005	2	118.1530	0.005	2	119.3727	4.465	3	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:C-2:	C[6a]-3:N[6a]-2:C-3:	C[6]-3:C-3:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CC[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(C[6]C[6]2)(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CC[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]C)	121.8120	0.000	1	121.8120	0.000	1	121.8120	0.000	1	119.3727	4.465	3	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:1:	C[6a]-3:S-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(SCCO)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCS)	C(CC[6a]S)(N)	C(C[6a]C[6a]2)(SCCO)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(N)	124.0420	0.000	1	124.0420	0.000	1	121.8347	4.086	3	121.8665	2.728	4	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:1:	C[6a]-3:S-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(SCCO)(CN)	C[6a](C[6a]C[6a]Cl)2(CCS)	C(CC[6a]S)(N)	C(C[6a]C[6a]2)(SCCO)(CN)	C[6a](C[6a]C[6a]Cl)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(N)	120.0740	0.000	1	120.0740	0.000	1	121.8347	4.086	3	121.8665	2.728	4	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:1:	C[6a]-3:S-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(SCCO)(CN)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(N)	C(C[6a]C[6a]2)(SCCO)(CN)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(N)	121.3880	0.000	1	121.3880	0.000	1	121.8347	4.086	3	121.8665	2.728	4	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:1:	C[6a]-3:Si-4:C-2:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:O-1:	C(C[6a]C[5a,6a]C[6a])(SiC3)(CO)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[4,6a]O)(CSiC)	C(CC[6a]Si)(O)	C(C[6a]C[5a,6a]C[6a])(SiC3)(CO)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[4,6a]O)(CSiC){1|C<4>,1|N<3>,3|C<3>}	C(CC[6a]Si)(O)	121.9620	0.000	1	121.9620	0.000	1	121.9620	0.000	1	121.8665	2.728	4	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC3)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC3)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC)	116.4140	0.000	1	116.4140	0.000	1	120.4610	7.920	4	120.4332	5.944	5	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CCFF)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CCFF)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC)	122.2350	0.000	1	122.2350	0.000	1	120.4610	7.920	4	120.4332	5.944	5	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CF3)(CC)	C[6a](C[6a]C[6a]F)2(CCC)	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CF3)(CC)	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	C(CC[6a]C)(CC)	122.5060	0.000	1	122.5060	0.000	1	120.4610	7.920	4	120.4332	5.944	5	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CHHO)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CHHO)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC)	120.6890	0.000	1	120.6890	0.000	1	120.4610	7.920	4	120.4332	5.944	5	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[3]-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(C[3]C[3]2H)(CC)	C[6a](C[6a]C[6a]H)2(CC[3]C)	C(CC[6a]C[3])(CRu)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CC)	C[6a](C[6a]C[6a]H)2(CC[3]C){1|C<3>,2|H<1>}	C(CC[6a]C[3])(CRu)	120.3220	0.000	1	120.3220	0.000	1	120.3220	0.000	1	120.4332	5.944	5	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC3)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)2	C(C[6a]C[6a]2)(CC3)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)2	117.0000	0.000	1	117.0000	0.000	1	121.3047	3.079	17	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CCCO)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6]C)	C(C[6a]C[6a]2)(CCCO)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6]C)	121.0890	0.000	1	121.0890	0.000	1	121.3047	3.079	17	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CCHH)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,1|F<1>,1|H<1>}	C(CC[6a]C)(CCC)	122.6940	0.000	1	122.6940	0.000	1	121.3047	3.079	17	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CCHH)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]H)	120.7620	0.000	1	120.7620	0.000	1	121.3047	3.079	17	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CCHN)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CCHN)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)	122.9110	0.000	1	122.9110	0.000	1	121.3047	3.079	17	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CCHN)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[3]C)	C(C[6a]C[6a]2)(CCHN)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[3]C)	119.5970	0.000	1	119.5970	0.000	1	121.3047	3.079	17	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CCHN)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHH)	C(C[6a]C[6a]2)(CCHN)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHH)	121.0620	0.000	1	121.0620	0.000	1	121.3047	3.079	17	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CH3)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)2	C(C[6a]C[6a]2)(CH3)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]C)2	121.0970	0.000	1	121.0970	0.000	1	121.3047	3.079	17	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CH3)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCC)	C(CC[6a]C)2	C(C[6a]C[6a]2)(CH3)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)2	118.0940	0.000	1	118.0940	0.000	1	121.3047	3.079	17	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CH3)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CH3)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]H)	121.5570	0.000	1	121.5570	0.000	1	121.3047	3.079	17	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CH3)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)2	C(C[6a]C[6a]2)(CH3)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)2	120.3640	0.000	1	120.3640	0.000	1	121.3047	3.079	17	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CN[5]HH)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CN[5]HH)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]C)(CCH)	122.5555	0.345	4	122.6588	0.122	6	121.3047	3.079	17	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CN[5]HH)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CN[5]HH)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)	122.8655	0.351	2	122.6588	0.122	6	121.3047	3.079	17	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[3]-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(C[3]C[3]2C)(CC)	C[6a](C[6a]C[6a]H)2(CC[3]C)	C(CC[5a]C[6a])(CC[6a]C[3])	C(C[6a]C[6a]2)(C[3]C[3]2C)(CC)	C[6a](C[6a]C[6a]H)2(CC[3]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CC[6a]C[3])	122.0150	0.000	1	122.0150	0.000	1	122.0150	0.000	1	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[4]-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2O)(CC)	C[6a](C[6a]C[6a]H)2(CC[4]C)	C(CC[6a]C[4])(CC[6a]2)	C(C[6a]C[6a]2)(C[4]C[4]2O)(CC)	C[6a](C[6a]C[6a]H)2(CC[4]C){1|C<3>,2|H<1>}	C(CC[6a]C[4])(CC[6a]2)	119.6340	0.000	1	119.6340	0.000	1	119.6340	0.000	1	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CC)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CC[6a]2)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CC)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CC[6a]2)	120.7900	0.000	1	120.7900	0.000	1	120.7900	0.000	1	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:N-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC3)(CC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC3)(CC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]N)	120.8500	0.000	1	120.8500	0.000	1	120.8500	0.000	1	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP)	C(CC[6a]P)(CC[6]P)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(CC[6]P)	123.9310	0.378	3	123.9310	0.143	3	122.9909	2.827	24	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP)	C(CC[6a]P)2	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]P)2	121.8180	0.000	1	123.0692	3.901	4	122.9909	2.827	24	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP)	C(CC[6a]P)2	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)2	124.6385	1.285	2	123.0692	3.901	4	122.9909	2.827	24	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP)	C(CC[6a]P)2	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]P)2	121.1820	0.000	1	123.0692	3.901	4	122.9909	2.827	24	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCP)	C(CC[6a]2)(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCP){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]P)	122.4420	0.000	1	122.4420	0.000	1	122.9909	2.827	24	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]C)(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]P)	120.7270	0.000	1	120.7270	0.000	1	122.9909	2.827	24	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]H)(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]P)	122.7420	0.000	1	122.7420	0.000	1	122.9909	2.827	24	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]P)(CCP)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(CCP)	120.7560	0.000	1	120.7560	0.000	1	122.9909	2.827	24	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]P)(CHH)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(CHH)	122.1500	0.000	1	122.1500	0.000	1	122.9909	2.827	24	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]P)(CHP)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(CHP)	122.2305	0.593	2	122.2305	0.352	2	122.9909	2.827	24	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]P)2	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)2	122.0448	1.620	5	122.0448	2.623	5	122.9909	2.827	24	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2Pd)(CC)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]P)2	C(C[6a]C[6a]2)(PC[6a]2Pd)(CC)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)2	124.8580	1.703	2	124.8580	2.899	2	122.9909	2.827	24	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]P)2	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)2	125.2905	1.177	2	125.2905	1.386	2	122.9909	2.827	24	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(CC)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]Mn)(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]3)(CC)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]Mn)(CC[6a]P)	123.9120	0.000	1	123.9120	0.000	1	122.9909	2.827	24	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:P[6]-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(P[6]O[6]2O)(CC)	C[6a](C[6a]C[6a]H)2(CP[6]C)	C(CC[6a]P[6])(CII)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CC)	C[6a](C[6a]C[6a]H)2(CP[6]C){1|C<3>,2|H<1>}	C(CC[6a]P[6])(CII)	121.0560	0.000	1	121.0560	0.000	1	121.0560	0.000	1	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:S-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(SCOO)(CC)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)2	C(C[6a]C[6a]2)(SCOO)(CC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)2	125.9430	2.227	2	125.9430	4.961	2	125.5140	3.033	3	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:S-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(SC[6a]OO)(CC)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]2)(CC[6a]S)	C(C[6a]C[6a]2)(SC[6a]OO)(CC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]S)	124.6560	0.000	1	124.6560	0.000	1	125.5140	3.033	3	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	3:4:2:	3:3:3:	3:3:	C[6a]-3:Si-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(SiC3)(CC)	C[6a](C[6a]C[6a]H)2(CSiC)	C(CC[6a]Si)(CCH)	C(C[6a]C[6a]2)(SiC3)(CC)	C[6a](C[6a]C[6a]H)2(CSiC){1|C<3>,2|H<1>}	C(CC[6a]Si)(CCH)	118.3485	0.114	2	118.3485	0.013	2	118.3485	0.013	2	122.1872	4.467	51	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CCC)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CCC)	122.4300	0.000	1	122.4300	0.000	1	122.4300	0.000	1	119.4943	4.921	4	120.9846	8.881	1769	120.9846	8.881	1769
930	643	983	0:SP2_SP1_SP2	C	C[6a]	C	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5,6a]2)(CC[6a]C[5])	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(C[5]C[5,6a]2)(CC[6a]C[5])	118.5157	1.279	3	118.5157	1.636	3	118.5157	1.636	3	119.4943	4.921	4	120.9846	8.881	1769	120.9846	8.881	1769
930	643	990	0:SP2_SP2_SP2	C	C[6a]	As	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:As-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(AsC[5])	C[6a](C[6a]C[6a]H)2(CC[5]As)	As(C[5]C[5,6]N[5])(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(AsC[5])	C[6a](C[6a]C[6a]H)2(CC[5]As){1|C<3>,2|H<1>}	As(C[5]C[5,6]N[5])(CC[6a]C[5])	121.8165	4.665	2	121.8165	21.760	2	121.7044	7.710	5	121.7044	7.710	5	121.7044	7.710	5	121.7044	7.710	5
930	643	990	0:SP2_SP2_SP2	C	C[6a]	As	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:As-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(AsC[5])	C[6a](C[6a]C[6a]H)2(CC[5]As)	As(C[5]C[5]N[5])(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(AsC[5])	C[6a](C[6a]C[6a]H)2(CC[5]As){1|C<3>,2|H<1>}	As(C[5]C[5]N[5])(CC[6a]C[5])	121.6297	2.126	3	121.6297	4.518	3	121.7044	7.710	5	121.7044	7.710	5	121.7044	7.710	5	121.7044	7.710	5
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:3:4:	3:3:3:	3:3:3:1:	C[6a]-3:C[5]-3:P-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(PC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[5]P)	P(C[6a]C[6a]2)2(CC[6a]C[5])(O)	C(C[6a]C[6a]2)(C[5]C[5]2)(PC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[5]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]C[5])(O)	116.1770	0.000	1	116.1770	0.000	1	116.1770	0.000	1	116.1770	0.000	1	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:1:	3:3:3:	3:2:1:1:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:O-1:	C(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHP)	P(CC[6a]H)(OC)(O)2	C(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHP){1|C<3>,2|H<1>}	P(CC[6a]H)(OC)(O)2	119.0410	0.000	1	119.0410	0.000	1	119.0410	0.000	1	119.0410	0.000	1	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:1:	3:3:3:	3:2:2:1:	C[6a]-3:P-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COP)	P(CC[6a]O)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COP){1|C<3>,2|H<1>}	P(CC[6a]O)(OC)2(O)	121.7800	0.000	1	121.7800	0.000	1	121.7800	0.000	1	121.7800	0.000	1	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:1:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHP)	P(C[6a]C[6a]2)3(CC[6a]H)	C(C[6a]C[6a]2)(PC[6a]3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]H)	131.9850	0.000	1	131.9850	0.000	1	123.7643	104.795	3	123.7643	104.795	3	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:1:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(H)	C[6a](C[6a]C[6a]H)2(CHP)	P(C[6a]C[6a]2)3(CC[6a]H)	C(C[6a]C[6a]2)(PC[6a]3)(H)	C[6a](C[6a]C[6a]H)2(CHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]H)	119.6540	10.403	2	119.6540	108.221	2	123.7643	104.795	3	123.7643	104.795	3	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:1:	3:3:3:	3:3:4:1:	C[6a]-3:P-4:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:O-1:	C(C[6a]C[6a]2)(PCCO)(O)	C[6a](C[6a]C[6a]C)2(COP)	P(CC[6a]O)2(CCHH)(O)	C(C[6a]C[6a]2)(PCCO)(O)	C[6a](C[6a]C[6a]C)2(COP){1|C<3>,2|H<1>}	P(CC[6a]O)2(CCHH)(O)	118.6425	0.795	2	118.6425	0.633	2	118.6425	0.633	2	118.6425	0.633	2	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:2:	3:3:3:	3:2:2:1:	C[6a]-3:P-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(NN)	C[6a](C[6a]C[6a]H)2(CNP)	P(CC[6a]N)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(NN)	C[6a](C[6a]C[6a]H)2(CNP){1|C<3>,2|H<1>}	P(CC[6a]N)(OC)2(O)	118.1710	0.000	1	118.1710	0.000	1	118.1710	0.000	1	118.1710	0.000	1	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:2:	3:3:3:	3:3:3:1:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP){1|Br<1>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)2(CC[6a]C)(O)	117.5390	0.000	1	118.2756	3.030	7	118.8751	2.742	19	118.8751	2.742	19	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:2:	3:3:3:	3:3:3:1:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]C)(O)	117.6372	0.204	5	118.2756	3.030	7	118.8751	2.742	19	118.8751	2.742	19	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:2:	3:3:3:	3:3:3:1:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP){1|Cl<1>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)2(CC[6a]C)(O)	122.2040	0.000	1	118.2756	3.030	7	118.8751	2.742	19	118.8751	2.742	19	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:2:	3:3:3:	3:3:3:1:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCP)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]C)(O)	119.7080	0.000	1	119.7080	0.000	1	118.8751	2.742	19	118.8751	2.742	19	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:2:	3:3:3:	3:3:3:1:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]C)(O)	119.1808	1.641	11	119.1808	2.693	11	118.8751	2.742	19	118.8751	2.742	19	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:2:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(CC)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)3(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]3)(CC)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]C)	120.3600	0.000	1	120.3600	0.000	1	120.3600	0.000	1	118.2982	3.891	4	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:2:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(NO)	C[6a](C[6a]C[6a]C)2(CNP)	P(C[6a]C[6a]2)3(CC[6a]N)	C(C[6a]C[6a]2)(PC[6a]3)(NO)	C[6a](C[6a]C[6a]C)2(CNP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]N)	117.6110	1.733	3	117.6110	3.003	3	117.6110	3.003	3	118.2982	3.891	4	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:2:	3:3:3:	3:3:3:4:	C[6a]-3:P-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2C)(NO)	C[6a](C[6a]C[6a]C)2(CNP)	P(C[6a]C[6a]2)2(CC[6a]N)(CCHH)	C(C[6a]C[6a]2)(PC[6a]2C)(NO)	C[6a](C[6a]C[6a]C)2(CNP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]N)(CCHH)	117.8370	0.000	1	117.8370	0.000	1	117.8370	0.000	1	117.8370	0.000	1	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:2:2:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(CCI)	C[6a](C[6a]C[6a]H)2(CCP)	P(CC[6a]C)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(CCI)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(CC[6a]C)(OC)2(O)	113.4140	0.000	1	113.4140	0.000	1	113.4140	0.000	1	113.4140	0.000	1	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:H-1:	C(C[6a]C[6a]2)(PC[6a]HH)(CBH)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)(CC[6a]C)(H)2	C(C[6a]C[6a]2)(PC[6a]HH)(CBH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]C)(H)2	111.7400	0.000	1	111.7400	0.000	1	111.7400	0.000	1	111.7400	0.000	1	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:2:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:O-1:	C(C[6a]C[6a]2)(PC[6a]OO)(CHH)	C[6a](C[6a]C[6a]C)2(CCP)	P(C[6a]C[6a]2)(CC[6a]C)(OC[6])(O)	C(C[6a]C[6a]2)(PC[6a]OO)(CHH)	C[6a](C[6a]C[6a]C)2(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]C)(OC[6])(O)	116.6245	0.098	2	116.6245	0.010	2	117.5670	2.670	3	117.5670	2.670	3	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:2:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:O-1:	C(C[6a]C[6a]2)(PC[6a]OO)(CHH)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(PC[6a]OO)(CHH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]C)(OC)(O)	119.4520	0.000	1	119.4520	0.000	1	117.5670	2.670	3	117.5670	2.670	3	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(PC[6a]2H)(CBH)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)2(CC[6a]C)(H)	C(C[6a]C[6a]2)(PC[6a]2H)(CBH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]C)(H)	116.4440	0.000	1	116.4440	0.000	1	116.4440	0.000	1	116.1654	3.248	17	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCH)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]C)(O)	115.7680	0.000	1	115.7680	0.000	1	116.1479	3.459	16	116.1654	3.248	17	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCP)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]C)(O)	115.8887	1.700	3	115.8887	2.891	3	116.1479	3.459	16	116.1654	3.248	17	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]C)(O)	115.6059	0.952	9	115.6059	0.907	9	116.1479	3.459	16	116.1654	3.248	17	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CHN)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CHN)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]C)(O)	119.7420	2.950	2	119.7420	8.703	2	116.1479	3.459	16	116.1654	3.248	17	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CSeH)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CSeH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]C)(O)	114.9960	0.000	1	114.9960	0.000	1	116.1479	3.459	16	116.1654	3.248	17	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:2:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:N-2:	C(C[6a]C[6a]2)(PC[6a]2N)(CCH)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)2(CC[6a]C)(NC)	C(C[6a]C[6a]2)(PC[6a]2N)(CCH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]C)(NC)	120.3170	0.000	1	120.3170	0.000	1	120.3170	0.000	1	120.3170	0.000	1	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(PC[6a]3)(CIrH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCP)	P(C[6a]C[6a]2)3(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(PC[6a]3)(CIrH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCP){2|H<1>,3|C<3>}	P(C[6a]C[6a]2)3(CC[6a]C)	110.8830	0.000	1	110.8830	0.000	1	120.6490	190.750	2	117.8838	27.612	23	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(PC[6a]3)(CIrH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Ir)(CCP)	P(C[6a]C[6a]2)3(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(PC[6a]3)(CIrH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Ir)(CCP){2|H<1>,3|C<3>}	P(C[6a]C[6a]2)3(CC[6a]C)	130.4150	0.000	1	130.4150	0.000	1	120.6490	190.750	2	117.8838	27.612	23	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(CAlH)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)3(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]3)(CAlH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]C)	114.2580	0.000	1	114.2580	0.000	1	116.7269	19.501	17	117.8838	27.612	23	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCP)	P(C[6a]C[6a]2)3(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]C)	119.6580	0.000	1	119.6580	0.000	1	116.7269	19.501	17	117.8838	27.612	23	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CC[6a]C)	122.9585	1.981	2	122.9585	3.923	2	116.7269	19.501	17	117.8838	27.612	23	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)3(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]C)	114.1533	2.711	3	114.1533	7.349	3	116.7269	19.501	17	117.8838	27.612	23	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(CIrH)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)3(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]3)(CIrH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]C)	110.3510	0.000	1	110.3510	0.000	1	116.7269	19.501	17	117.8838	27.612	23	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(CIrH)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCP)	P(C[6a]C[6a]2)3(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]3)(CIrH)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]C)	123.3890	0.000	1	123.3890	0.000	1	116.7269	19.501	17	117.8838	27.612	23	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(CNN)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)3(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]3)(CNN)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]C)	119.9780	0.933	3	119.9780	0.870	3	116.7269	19.501	17	117.8838	27.612	23	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(CRuH)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)3(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]3)(CRuH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]C)	113.6660	2.324	4	113.6660	5.403	4	116.7269	19.501	17	117.8838	27.612	23	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(CRuH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCP)	P(C[6a]C[6a]2)3(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]3)(CRuH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]C)	113.7270	0.000	1	113.7270	0.000	1	116.7269	19.501	17	117.8838	27.612	23	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(NCC)	C[6a](C[6a]C[6a]H)2(CNP)	P(C[6a]C[6a]2)3(CC[6a]N)	C(C[6a]C[6a]2)(PC[6a]3)(NCC)	C[6a](C[6a]C[6a]H)2(CNP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]N)	122.0900	0.000	1	122.0900	0.000	1	122.0900	0.000	1	117.8838	27.612	23	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:P-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(PC[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CPP)	P(C[6a]C[6a]2)3(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]3)(PC[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CPP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]P)	124.4600	0.000	1	124.4600	0.000	1	121.1937	8.045	3	117.8838	27.612	23	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:P-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(PC[6]2)	C[6a](C[6a]C[6a]H)2(CPP)	P(C[6a]C[6a]2)3(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]3)(PC[6]2)	C[6a](C[6a]C[6a]H)2(CPP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]P)	119.5605	0.295	2	119.5605	0.087	2	121.1937	8.045	3	117.8838	27.612	23	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:3:3:4:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2C)(CBH)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)2(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(PC[6a]2C)(CBH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]C)(CCHH)	114.2900	0.000	1	114.2900	0.000	1	114.2900	0.000	1	114.2900	0.000	1	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	3:4:1:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:Cl-1:Cl-1:	C(C[6a]C[6a]2)(PCl2C)(CBH)	C[6a](C[6a]C[6a]H)2(CCP)	P(CC[6a]C)(CC3)(Cl)2	C(C[6a]C[6a]2)(PCl2C)(CBH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(CC[6a]C)(CC3)(Cl)2	112.9510	0.000	1	112.9510	0.000	1	112.9510	0.000	1	112.9510	0.000	1	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	4:4:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:S-1:	C(C[6a]C[6a]2)(PC[6]2S)(CHP)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6]C[6]2H)2(CC[6a]C)(S)	C(C[6a]C[6a]2)(PC[6]2S)(CHP)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[6]C[6]2H)2(CC[6a]C)(S)	119.4360	0.000	1	119.4360	0.000	1	119.4360	0.000	1	119.4360	0.000	1	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	4:4:4:3:	C[6a]-3:P-4:P-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(PC[6]3)(PC[6]2)	C[6a](C[6a]C[6a]C)2(CPP)	P(C[6]C[6]2H)3(CC[6a]P)	C(C[6a]C[6a]2)(PC[6]3)(PC[6]2)	C[6a](C[6a]C[6a]C)2(CPP){1|C<3>,2|H<1>}	P(C[6]C[6]2H)3(CC[6a]P)	119.9870	0.000	1	119.9870	0.000	1	119.9870	0.000	1	119.9870	0.000	1	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:4:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:P-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6]2Au)(PC[6a]3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CPP)	P(C[6a]C[6a]2)3(CC[6a]P)	C(C[6a]C[6a]2)(PC[6]2Au)(PC[6a]3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CPP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]P)	116.3790	0.000	1	116.3790	0.000	1	116.9980	12.537	5	116.9980	12.537	5	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:4:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:P-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6]2Au)(PC[6a]3)	C[6a](C[6a]C[6a]C)2(CPP)	P(C[6a]C[6a]2)3(CC[6a]P)	C(C[6a]C[6a]2)(PC[6]2Au)(PC[6a]3)	C[6a](C[6a]C[6a]C)2(CPP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]P)	121.4400	0.000	1	121.4400	0.000	1	116.9980	12.537	5	116.9980	12.537	5	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:4:	3:3:3:	3:3:3:3:	C[6a]-3:P-4:P-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6]2Au)(PC[6a]3)	C[6a](C[6a]C[6a]H)2(CPP)	P(C[6a]C[6a]2)3(CC[6a]P)	C(C[6a]C[6a]2)(PC[6]2Au)(PC[6a]3)	C[6a](C[6a]C[6a]H)2(CPP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]P)	115.7237	3.547	3	115.7237	12.580	3	116.9980	12.537	5	116.9980	12.537	5	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	3:4:4:	3:3:3:	4:4:4:3:	C[6a]-3:P-4:P-4:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(PC[6]2Rh)(PC[6]3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CPP)	P(C[6]C[6]2H)3(CC[6a]P)	C(C[6a]C[6a]2)(PC[6]2Rh)(PC[6]3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CPP){1|C<3>,2|H<1>}	P(C[6]C[6]2H)3(CC[6a]P)	118.1900	0.000	1	118.1900	0.000	1	118.1900	0.000	1	118.1900	0.000	1	117.8313	14.383	91	117.8313	14.383	91
930	643	992	0:SP2_SP2_SP3	C	C[6a]	P	4:3:3:	3:3:3:	5:3:3:3:	P-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:C-3:	C(PC[3x3,4,3x5,14x6]C[6a]2)(C[6a]C[6a]2)(CBH)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CC[6a]C)	C(PC[3x3,4,3x5,14x6]C[6a]2)(C[6a]C[6a]2)(CBH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CC[6a]C)	117.5465	1.518	2	117.5465	2.305	2	117.5465	2.305	2	117.5465	2.305	2	117.8313	14.383	91	117.8313	14.383	91
930	643	996	0:SP2_SP2_SP3	C	C[6a]	Si[4]	4:3:3:	3:3:3:	3:3:3:4:	Si[4]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	Si[4]-3:C[4]-3:C-3:Si-4:	C(Si[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	C[6a](C[6a]C[6a]H)2(CSi[4]C)	Si[4](Si[4]C[4]Si)(C[4]C[4]H)(CC[6a]C)(SiC3)	C(Si[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	C[6a](C[6a]C[6a]H)2(CSi[4]C){1|C<3>,2|H<1>}	Si[4](Si[4]C[4]Si)(C[4]C[4]H)(CC[6a]C)(SiC3){1|C<3>}	122.4590	0.000	1	122.4590	0.000	1	122.4590	0.000	1	122.4590	0.000	1	122.4590	0.000	1	122.4590	0.000	1
930	658	863	0:SP2_SP2_SP3	C	Si[3x6]	O	4:2:1:	4:4:4:3:	3:	Si[3x6]-4:O-2:O-1:	Si[6,6]-4:Si[6,6]-4:Si[6,6]-4:C-3:	C-3:	C(Si[3x6]Si[6,6]3)(OC)(O)	Si[3x6](Si[6,6]Si[6,6]CC)3(COO)	O(CSi[3x6]O)	C(Si[3x6]Si[6,6]3)(OC)(O)	Si[3x6](Si[6,6]Si[6,6]CC)3(COO){1|Si<4>,6|C<4>}	O(CSi[3x6]O)	126.8560	0.000	1	126.8560	0.000	1	125.0545	6.491	2	125.0545	6.491	2	123.8120	7.877	3	119.6936	35.799	5
930	658	863	0:SP2_SP2_SP3	C	Si[3x6]	O	4:2:1:	4:4:4:3:	3:	Si[3x6]-4:O-2:O-1:	Si[6,6]-4:Si[6,6]-4:Si[6,6]-4:C-3:	C-3:	C(Si[3x6]Si[6,6]3)(OH)(O)	Si[3x6](Si[6,6]Si[6,6]CC)3(COO)	O(CSi[3x6]O)	C(Si[3x6]Si[6,6]3)(OH)(O)	Si[3x6](Si[6,6]Si[6,6]CC)3(COO){1|Si<4>,6|C<4>}	O(CSi[3x6]O)	123.2530	0.000	1	123.2530	0.000	1	125.0545	6.491	2	125.0545	6.491	2	123.8120	7.877	3	119.6936	35.799	5
930	658	863	0:SP2_SP2_SP3	C	Si[3x6]	O	4:4:1:	4:4:4:3:	3:	Si[3x6]-4:C-4:O-1:	Si[6,6]-4:Si[6,6]-4:Si[6,6]-4:C-3:	C-3:	C(Si[3x6]Si[6,6]3)(CH3)(O)	Si[3x6](Si[6,6]Si[6,6]CC)3(CCO)	O(CSi[3x6]C)	C(Si[3x6]Si[6,6]3)(CH3)(O)	Si[3x6](Si[6,6]Si[6,6]CC)3(CCO){1|Si<4>,6|C<4>}	O(CSi[3x6]C)	121.3270	0.000	1	121.3270	0.000	1	121.3270	0.000	1	121.3270	0.000	1	123.8120	7.877	3	119.6936	35.799	5
930	658	863	0:SP2_SP2_SP3	C	Si[6]	O	4:4:1:	4:4:3:4:	3:	C[3x6]-4:Si[6]-4:O-1:	Si[6]-4:Si[6]-4:C-3:Si-4:	C-3:	C(C[3x6]C[6,6]3)(Si[6]Si[6]2Si)(O)	Si[6](Si[6]Si[6]CC)2(CC[3x6]O)(SiC3)	O(CC[3x6]Si[6])	C(C[3x6]C[6,6]3)(Si[6]Si[6]2Si)(O)	Si[6](Si[6]Si[6]CC)2(CC[3x6]O)(SiC3){1|Si<4>,4|C<4>}	O(CC[3x6]Si[6])	113.1750	0.000	1	113.1750	0.000	1	113.1750	0.000	1	113.1750	0.000	1	113.5160	0.233	2	119.6936	35.799	5
930	658	863	0:SP2_SP2_SP3	C	Si[6]	O	4:4:1:	4:4:4:3:	3:	Si[6]-4:C-4:O-1:	Si[6]-4:Si[6]-4:Si-4:C-3:	C-3:	C(Si[6]Si[6]2Si)(CC3)(O)	Si[6](Si[6]Si[6]CC)2(SiC3)(CCO)	O(CSi[6]C)	C(Si[6]Si[6]2Si)(CC3)(O)	Si[6](Si[6]Si[6]CC)2(SiC3)(CCO){1|Si<4>,4|C<4>}	O(CSi[6]C)	113.8570	0.000	1	113.8570	0.000	1	113.8570	0.000	1	113.8570	0.000	1	113.5160	0.233	2	119.6936	35.799	5
930	658	893	0:SP2_SP2_SP3	C	Si[3x6]	O	4:2:1:	4:4:4:3:	3:1:	Si[3x6]-4:O-2:O-1:	Si[6,6]-4:Si[6,6]-4:Si[6,6]-4:C-3:	C-3:H-1:	C(Si[3x6]Si[6,6]3)(OH)(O)	Si[3x6](Si[6,6]Si[6,6]CC)3(COO)	O(CSi[3x6]O)(H)	C(Si[3x6]Si[6,6]3)(OH)(O)	Si[3x6](Si[6,6]Si[6,6]CC)3(COO){1|Si<4>,6|C<4>}	O(CSi[3x6]O)(H)	114.5460	0.000	1	114.5460	0.000	1	114.5460	0.000	1	114.5460	0.000	1	113.0695	4.360	2	113.0695	4.360	2
930	658	893	0:SP2_SP2_SP3	C	Si[3x6]	O	4:2:1:	4:4:4:3:	3:4:	Si[3x6]-4:O-2:O-1:	Si[6,6]-4:Si[6,6]-4:Si[6,6]-4:C-3:	C-3:C-4:	C(Si[3x6]Si[6,6]3)(OC)(O)	Si[3x6](Si[6,6]Si[6,6]CC)3(COO)	O(CSi[3x6]O)(CH3)	C(Si[3x6]Si[6,6]3)(OC)(O)	Si[3x6](Si[6,6]Si[6,6]CC)3(COO){1|Si<4>,6|C<4>}	O(CSi[3x6]O)(CH3)	111.5930	0.000	1	111.5930	0.000	1	111.5930	0.000	1	111.5930	0.000	1	113.0695	4.360	2	113.0695	4.360	2
930	658	930	0:SP2_SP2_SP3	C	Si[6]	C	4:4:3:	3:3:3:1:	3:4:1:	Si[6]-4:P-4:C-3:	N[6]-3:N[6]-3:C-3:H-1:	C-3:C-4:O-1:	C(Si[6]N[6]2H)(PC[6a]3)(CCO)	Si[6](N[6]C[6a]C[6])2(CCP)(H)	C(CSi[6]P)(CH3)(O)	C(Si[6]N[6]2H)(PC[6a]3)(CCO)	Si[6](N[6]C[6a]C[6])2(CCP)(H){1|C<4>,6|C<3>}	C(CSi[6]P)(CH3)(O)	124.6710	0.178	2	124.6710	0.032	2	124.6710	0.032	2	124.6710	0.032	2	124.6710	0.032	2	124.6710	0.032	2
930	658	992	0:SP2_SP3_SP3	C	Si[6]	P	4:4:3:	3:3:3:1:	3:3:3:3:	Si[6]-4:P-4:C-3:	N[6]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(Si[6]N[6]2H)(PC[6a]3)(CCO)	Si[6](N[6]C[6a]C[6])2(CCP)(H)	P(C[6a]C[6a]2)3(CSi[6]C)	C(Si[6]N[6]2H)(PC[6a]3)(CCO)	Si[6](N[6]C[6a]C[6])2(CCP)(H){1|C<4>,6|C<3>}	P(C[6a]C[6a]2)3(CSi[6]C)	122.8330	0.055	2	122.8330	0.003	2	122.8330	0.003	2	122.8330	0.003	2	122.8330	0.003	2	122.8330	0.003	2
930	670	930	0:SP2_SP2_SP2	C	Ge	C	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C-3:Ge-3:	C-3:C-3:P-4:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(CSiH)(GeCP)	Ge(CC[6a]C)2(PC3)	C(CC[6a]Ge)(SiSi3)(H)	C(C[6a]C[6a]2)(CSiH)(GeCP)	Ge(CC[6a]C)2(PC3)	C(CC[6a]Ge)(SiSi3)(H)	122.1760	2.179	2	122.1760	4.749	2	122.1760	4.749	2	122.1760	4.749	2	119.0697	31.323	3	119.0697	31.323	3
930	670	930	0:SP2_SP2_SP2	C	Ge	C	3:3:3:	3:4:4:	3:4:1:	C[6a]-3:Ge-3:C-3:	C-3:Si-4:P-4:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(GeSiP)(CSiH)	Ge(CC[6a]C)(SiSi3)(PC3)	C(CC[6a]Ge)(SiSi3)(H)	C(C[6a]C[6a]2)(GeSiP)(CSiH)	Ge(CC[6a]C)(SiSi3)(PC3)	C(CC[6a]Ge)(SiSi3)(H)	112.8570	0.000	1	112.8570	0.000	1	112.8570	0.000	1	112.8570	0.000	1	119.0697	31.323	3	119.0697	31.323	3
930	679	930	0:SP2_SP2_SP3	C	B[5a]	C	4:3:1:	3:3:4:3:	3:1:1:	B[5a]-4:C-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:C-3:	C-3:H-1:H-1:	C(B[5a]N[5a,6a]2C[5])(CHH)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCH)	C(CB[5a]H)(H)2	C(B[5a]N[5a,6a]2C[5])(CHH)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCH){2|C<4>,4|C<3>,4|H<1>}	C(CB[5a]H)(H)2	126.9840	0.000	1	126.9840	0.000	1	126.9840	0.000	1	126.9840	0.000	1	126.9840	0.000	1	126.9840	0.000	1
930	679	951	0:SP2_SP-NON_SP3	C	B[5a]	H	4:3:1:	3:3:4:3:	3:	B[5a]-4:C-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:C-3:	C-3:	C(B[5a]N[5a,6a]2C[5])(CHH)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCH)	H(CB[5a]C)	C(B[5a]N[5a,6a]2C[5])(CHH)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCH){2|C<4>,4|C<3>,4|H<1>}	H(CB[5a]C)	116.5260	0.000	1	116.5260	0.000	1	116.5260	0.000	1	116.5260	0.000	1	116.5260	0.000	1	116.5260	0.000	1
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:S[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a,5a]S[5a])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a,5a]N[5a,5a]N[5a])(S[5a]C[5a])(CC[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H)	C(C[5a]C[5a,5a]S[5a])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a,5a]N[5a,5a]N[5a])(S[5a]C[5a])(CC[5a]H){1|S<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H){2|H<1>}	128.6070	0.000	1	128.6070	0.000	1	128.6070	0.000	1	122.2571	38.220	24	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])2(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H)	C(C[5a]C[5a]O[5a])2(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H){1|C<3>,1|H<1>}	132.7477	0.253	4	132.7477	0.064	4	132.7477	0.064	4	122.2571	38.220	24	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]H){1|H<1>,1|S<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[5a]H){2|H<1>}	127.7770	0.000	1	127.7770	0.000	1	127.7770	0.000	1	122.2571	38.220	24	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])2(H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]H)	C(C[5a]C[5a]S[5a])2(H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]H){1|C<4>,1|S<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]H){2|H<1>}	129.4710	0.000	1	129.4710	0.000	1	129.4710	0.000	1	122.2571	38.220	24	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(O)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CC[5a]O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(O)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CC[5a]O){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]O){2|H<1>}	118.4570	0.000	1	118.4570	0.000	1	119.4965	2.161	2	122.2571	38.220	24	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(O)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[5a]O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(O)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[5a]O){1|Fe<10>,1|H<1>,2|C<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]O){2|H<1>}	120.5360	0.000	1	120.5360	0.000	1	119.4965	2.161	2	122.2571	38.220	24	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(O)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[5a]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(O)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[5a]O){1|C<4>,2|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O){2|H<1>}	120.8840	0.000	1	120.8840	0.000	1	120.8840	0.000	1	122.2571	38.220	24	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])2(O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[5a]O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[5a]O)	C(C[5a]C[5a]O[5a])2(O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[5a]O){2|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[5a]O){2|C<3>}	118.3940	0.000	1	118.3940	0.000	1	118.3940	0.000	1	122.2571	38.220	24	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(O)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[5a]O)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[5a]O)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(O)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[5a]O){1|C<3>,1|N<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[5a]O){1|C<3>}	122.7350	0.000	1	122.7350	0.000	1	122.7350	0.000	1	122.2571	38.220	24	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])2(O)	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(CC[5a]O)	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(CC[5a]O)	C(C[5a]C[5a]S[5a])2(O)	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(CC[5a]O){1|S<2>,3|C<3>}	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(CC[5a]O){1|S<2>,3|C<3>}	115.9327	0.237	4	115.9327	0.056	4	118.2913	6.563	9	122.2571	38.220	24	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])2(O)	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CC[5a]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a]S[5a])2(O)	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CC[5a]O){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O){2|H<1>}	120.6390	0.000	1	120.6390	0.000	1	118.2913	6.563	9	122.2571	38.220	24	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])2(O)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]O)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]O)	C(C[5a]C[5a]S[5a])2(O)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]O){2|C<3>}	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]O){2|C<3>}	118.0960	0.000	1	118.0960	0.000	1	118.2913	6.563	9	122.2571	38.220	24	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])2(O)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a]S[5a])2(O)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]O){2|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O){2|H<1>}	122.6460	0.000	1	122.6460	0.000	1	118.2913	6.563	9	122.2571	38.220	24	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])2(O)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a]S[5a])2(O)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[5a]O){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[5a]O){2|C<3>,2|H<1>}	120.5560	0.000	1	120.5560	0.000	1	118.2913	6.563	9	122.2571	38.220	24	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])2(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a]S[5a])2(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O){2|H<1>}	118.9540	0.000	1	118.9540	0.000	1	118.2913	6.563	9	122.2571	38.220	24	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	N[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(O)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CC[5a]O)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(O)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CC[5a]O){2|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){2|H<1>}	120.0110	0.000	1	120.0110	0.000	1	120.0110	0.000	1	122.2571	38.220	24	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	N[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:C-3:	C(C[5a]N[5a]2)2(O)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	C(C[5a]N[5a]2)2(O)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){2|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){2|C<3>}	115.8430	0.024	2	115.8430	0.001	2	115.8430	0.001	2	122.2571	38.220	24	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[5a]H){1|C<4>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5a]H){2|H<1>}	128.3050	0.000	1	128.3050	0.000	1	128.3050	0.000	1	128.3050	0.000	1	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H){1|C<3>,1|H<1>}	131.3830	0.000	1	131.3830	0.000	1	131.3830	0.000	1	120.1858	16.375	13	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]Pd)(N[5a]N[5a])(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]Pd)(N[5a]N[5a])(CC[5a]H){2|C<3>}	122.5040	0.000	1	122.5040	0.000	1	122.5040	0.000	1	120.1858	16.375	13	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a,6]C[5a])(C[5a]C[5a]O[5a])(O)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]S[5a]S)(CC[5a]O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a,6]C[5a])(C[5a]C[5a]O[5a])(O)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]S[5a]S)(CC[5a]O){3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]O){2|H<1>}	116.5720	0.000	1	116.5720	0.000	1	116.5720	0.000	1	120.1858	16.375	13	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a,6]C[5a])(C[5a]C[5a]S[5a])(O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]S)(CC[5a]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a,6]C[5a])(C[5a]C[5a]S[5a])(O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]S)(CC[5a]O){1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O){2|H<1>}	119.4780	0.000	1	119.4780	0.000	1	119.4780	0.000	1	120.1858	16.375	13	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]O){1|H<1>,1|S<4>,2|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O){2|H<1>}	119.2080	0.000	1	119.2080	0.000	1	119.2080	0.000	1	120.1858	16.375	13	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(CC[5a]O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a]O[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(CC[5a]O){1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]O){2|H<1>}	122.2030	0.000	1	122.2030	0.000	1	122.2030	0.000	1	120.1858	16.375	13	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]H)(CC[5a]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]H)(CC[5a]O){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O){2|H<1>}	118.5110	0.000	1	118.5110	0.000	1	119.6328	4.418	5	120.1858	16.375	13	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(CC[5a]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(CC[5a]O){1|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O){2|H<1>}	120.3250	0.000	1	120.3250	0.000	1	119.6328	4.418	5	120.1858	16.375	13	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[5a]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[5a]O){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O){2|H<1>}	118.2880	0.000	1	118.2880	0.000	1	119.6328	4.418	5	120.1858	16.375	13	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]O){3|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O){2|H<1>}	123.0250	0.000	1	123.0250	0.000	1	119.6328	4.418	5	120.1858	16.375	13	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[5a]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[5a]O){1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O){2|H<1>}	118.0150	0.000	1	118.0150	0.000	1	119.6328	4.418	5	120.1858	16.375	13	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[5a]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[5a]O){2|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O){2|H<1>}	116.4520	0.284	2	116.4520	0.081	2	116.4520	0.081	2	120.1858	16.375	13	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:Br-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(Br)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]Br)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]Br)	C(C[5a]C[5a]N[5a])2(Br)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]Br){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]Br){1|C<3>,1|H<1>}	126.9960	0.000	1	126.9960	0.000	1	126.4218	4.099	10	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:Br-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(Br)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]Br)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]Br)	C(C[5a]C[5a]N[5a])2(Br)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]Br){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]Br){1|C<3>,1|H<1>}	124.8508	1.644	5	124.8508	2.702	5	126.4218	4.099	10	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:Br-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(Br)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]Br)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]Br)	C(C[5a]C[5a]N[5a])2(Br)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]Br){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]Br){1|C<3>,1|H<1>}	128.1630	0.280	2	128.1630	0.078	2	126.4218	4.099	10	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:Br-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(Br)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]Br)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]Br)	C(C[5a]C[5a]N[5a])2(Br)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]Br){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]Br){1|C<3>,1|H<1>}	128.3210	0.235	2	128.3210	0.055	2	126.4218	4.099	10	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:Cl-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(Cl)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]Cl)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]Cl)	C(C[5a]C[5a]N[5a])2(Cl)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]Cl){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]Cl){1|C<3>,1|H<1>}	125.3780	0.000	1	125.3780	0.000	1	125.3780	0.000	1	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6,6]-3:N[5a]-3:C-3:	C[5a,6,6]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6,6]N[5a])2(H)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]Ni)(CC[5a]H)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]Ni)(CC[5a]H)	C(C[5a]C[5a,6,6]N[5a])2(H)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]Ni)(CC[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]Ni)(CC[5a]H){1|C<4>,1|H<1>,3|C<3>}	124.6145	0.194	2	123.9518	0.316	6	124.6935	2.125	8	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6,6]-3:N[5a]-3:C-3:	C[5a,6,6]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6,6]N[5a])2(H)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]Ni)(CC[5a]H)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]Ni)(CC[5a]H)	C(C[5a]C[5a,6,6]N[5a])2(H)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]Ni)(CC[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]Ni)(CC[5a]H){1|H<1>,2|C<3>,2|C<4>}	123.6205	0.274	4	123.9518	0.316	6	124.6935	2.125	8	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6,6]-3:N[5a]-3:C-3:	C[5a,6,6]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6,6]N[5a])2(H)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]Zn)(CC[5a]H)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]Zn)(CC[5a]H)	C(C[5a]C[5a,6,6]N[5a])2(H)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]Zn)(CC[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]Zn)(CC[5a]H){1|C<4>,1|H<1>,3|C<3>}	126.9185	0.302	2	126.9185	0.091	2	124.6935	2.125	8	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(CC[5a]H){1|H<1>,4|C<4>}	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	134.9030	0.000	1	134.9030	0.000	1	134.9030	0.000	1	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]H){1|C<4>,1|H<1>,2|C<3>}	130.3710	0.000	1	130.3710	0.000	1	130.9363	0.314	3	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]H){1|C<4>,1|H<1>,2|C<3>}	131.4910	0.000	1	131.2190	0.148	2	130.9363	0.314	3	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]H){2|C<3>,2|H<1>}	130.9470	0.000	1	131.2190	0.148	2	130.9363	0.314	3	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CC[5a]H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CC[5a]H){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	125.0440	0.000	1	125.0440	0.000	1	125.0440	0.000	1	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(CC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(CC[5a]H)	C(C[5a]C[5a,6a]N[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(CC[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(CC[5a]H){1|H<1>,3|C<3>}	125.4917	0.569	8	125.4917	0.324	8	126.4366	1.702	22	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(CC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(CC[5a]H)	C(C[5a]C[5a,6a]N[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(CC[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(CC[5a]H){1|H<1>,3|C<3>}	125.0200	1.130	2	125.0200	1.277	2	126.4366	1.702	22	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(CC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(CC[5a]H)	C(C[5a]C[5a,6a]N[5a])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(CC[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(CC[5a]H){1|H<1>,3|C<3>}	127.3026	1.046	12	127.3026	1.094	12	126.4366	1.702	22	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(CC[5a]H)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(CC[5a]H){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	126.8272	1.263	4	126.8272	1.594	4	126.8272	1.594	4	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|C<4>}	131.1265	5.317	6	131.6086	25.189	7	132.2062	17.136	19	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){2|C<4>}	134.5010	0.000	1	131.6086	25.189	7	132.2062	17.136	19	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	132.9990	0.359	2	132.9990	0.129	2	132.2062	17.136	19	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	134.5320	0.000	2	134.5320	0.000	2	132.2062	17.136	19	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]V)(CC[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]V)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]V)(CC[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]V)(CC[5a]H){1|C<3>,1|H<1>}	124.8580	0.314	2	124.8580	0.099	2	132.2062	17.136	19	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){2|C<4>}	135.0817	0.714	3	135.0817	0.510	3	132.2062	17.136	19	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]H){2|C<4>}	133.8080	0.000	1	133.8080	0.000	1	132.2062	17.136	19	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|O<2>}	133.4130	1.796	2	133.4130	3.226	2	132.2062	17.136	19	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Zn)(CC[5a]H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Zn)(CC[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	126.7885	0.074	2	126.7885	0.006	2	126.7885	0.006	2	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])2(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[5a]H)	C(C[5a]N[5a,6a]C[5a])2(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[5a]H){1|C<4>,1|H<1>,4|C<3>}	132.4380	0.000	1	132.4380	0.000	1	132.4380	0.000	1	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]N[5a]Ni)(C[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]Ni)(C[5a]C[5a]H)(CC[5a]H){2|C<3>}	122.0160	0.260	2	122.0160	0.068	2	122.0160	0.068	2	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(CC[5a]H){4|C<3>}	124.4630	0.256	2	124.4630	0.066	2	123.9893	0.148	6	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]H){4|C<3>}	123.7525	0.028	4	123.7525	0.001	4	123.9893	0.148	6	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.7037	0.506	16	125.5640	2.273	22	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]H){2|C<4>}	127.8583	0.309	6	125.5640	2.273	22	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	124.2888	0.453	11	124.2888	0.205	11	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H){1|Br<1>,1|C<4>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H){1|Br<1>,1|C<4>}	131.2070	0.000	1	127.0590	2.780	28	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	126.0239	0.698	14	127.0590	2.780	28	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H){2|C<4>}	127.2133	0.619	10	127.0590	2.780	28	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H){1|C<4>,1|H<1>}	132.1460	0.000	1	127.0590	2.780	28	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H){2|C<4>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]H){2|C<4>}	128.9155	0.235	2	127.0590	2.780	28	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	125.5567	0.615	17	125.5567	0.378	17	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	125.9797	0.912	114	125.9603	0.830	117	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|H<1>}	125.3490	0.000	1	125.9603	0.830	117	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H){1|C<4>,1|N<2>}	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H){1|C<4>,1|N<2>}	125.1625	0.733	2	125.9603	0.830	117	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|C<4>}	125.1020	0.000	1	125.6095	0.515	2	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|C<4>}	126.1170	0.000	1	125.6095	0.515	2	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	127.6070	0.454	2	127.6070	0.206	2	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]C)(CC[5a]H){2|C<4>}	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]C)(CC[5a]H){2|C<4>}	130.3950	0.000	1	130.3950	0.000	1	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	125.7585	0.789	8	125.7585	0.622	8	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Mo)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	126.3906	1.431	16	126.3906	2.048	16	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5,5a]Ni)(C[5a]C[5,5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5,5a]Ni)(C[5a]C[5,5a]C)(CC[5a]H){2|C<3>}	123.9020	0.052	2	123.9020	0.003	2	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	124.1380	0.532	31	124.1380	0.283	31	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	123.3730	0.000	2	123.3730	0.000	2	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	123.6034	1.379	14	123.7494	1.818	16	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]H){1|C<4>,1|H<1>}	124.7710	0.395	2	123.7494	1.818	16	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	126.5823	1.306	12	126.5823	1.706	12	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	125.8935	0.648	2	125.8935	0.420	2	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Pd)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Pd)(CC[5a]H){3|C<3>}	121.4980	0.000	1	121.4980	0.000	1	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	126.0992	1.020	10	127.3450	2.854	18	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]H){1|C<4>,1|H<1>}	128.9023	0.779	8	127.3450	2.854	18	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	126.3813	0.806	7	126.3813	0.650	7	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[5a]H)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	125.3540	0.655	5	125.3540	0.429	5	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	122.4485	0.013	2	122.4485	0.000	2	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	127.3144	0.641	7	127.3144	0.411	7	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	127.8659	0.883	19	127.8659	0.779	19	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Sn)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Sn)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Sn)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Sn)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	128.8888	0.466	4	128.8888	0.217	4	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	127.8033	1.090	61	128.1193	1.598	75	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H){2|C<4>}	128.6804	0.407	8	128.1193	1.598	75	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H){2|C<4>}	131.0535	0.333	2	128.1193	1.598	75	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H){2|C<4>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H){2|C<4>}	130.3500	0.117	4	128.1193	1.598	75	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	128.2438	0.314	4	128.2438	0.099	4	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]H){1|Br<1>,1|C<3>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	126.9570	0.000	1	126.8894	0.832	45	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	126.7843	0.774	41	126.8894	0.832	45	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])2(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]H){1|C<4>,1|H<1>}	128.3027	1.759	3	126.8894	0.832	45	126.3782	2.897	476	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[5a]O)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]O){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[5a]O){2|C<3>}	120.6710	0.000	1	120.6710	0.000	1	120.6710	0.000	1	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)2(O)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[5a]O)	C(C[5a]C[5a]2)2(O)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[5a]O){1|C<4>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[5a]O){1|C<4>}	123.4620	0.000	1	123.4620	0.000	1	120.8463	8.284	3	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)2(O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5a]O)	C(C[5a]C[5a]2)2(O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5a]O){1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5a]O){1|H<1>}	121.3140	0.000	1	121.3140	0.000	1	120.8463	8.284	3	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)2(O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(CC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(CC[5a]O)	C(C[5a]C[5a]2)2(O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(CC[5a]O){1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(CC[5a]O){1|H<1>}	117.7630	0.000	1	117.7630	0.000	1	120.8463	8.284	3	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5a]O)	C(C[5a]C[5a]N[5a])2(O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5a]O){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5a]O){2|H<1>}	124.1470	0.000	1	124.1470	0.000	1	124.1470	0.000	1	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]N[5a])(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]O)	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[5a]O)	C(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]N[5a])(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]O){1|C<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[5a]O){2|C<3>}	115.3330	0.000	1	115.3330	0.000	1	115.3330	0.000	1	126.5007	5.265	562	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:2:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:N-2:	N[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:C-3:	C(C[5a]N[5a]2)2(NN)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]N)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]N)	C(C[5a]N[5a]2)2(NN)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]N)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]N)	118.6100	0.000	1	118.6100	0.000	1	118.9095	0.179	2	118.9095	0.179	2	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:2:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:N-2:	N[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:C-3:	C(C[5a]N[5a]2)2(NO)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]N)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]N)	C(C[5a]N[5a]2)2(NO)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]N)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]N)	119.2090	0.000	1	119.2090	0.000	1	118.9095	0.179	2	118.9095	0.179	2	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(NN)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]N)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]N)	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(NN)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]N){2|H<1>}	118.1925	1.545	2	118.1925	2.387	2	118.1925	2.387	2	118.1925	2.387	2	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CC)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]C)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CC)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	123.8510	0.000	1	123.8510	0.000	1	125.1244	3.100	17	124.0079	6.196	35	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CC)	C[5a](N[5a]C[5a]Mg)(C[5a]C[5a]H)(CC[5a]C)	C[5a](N[5a]C[5a]Mg)(C[5a]C[5a]H)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CC)	C[5a](N[5a]C[5a]Mg)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Mg)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	126.3870	0.822	10	126.3870	0.676	10	125.1244	3.100	17	124.0079	6.196	35	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CC)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]C)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CC)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	122.1510	0.000	1	122.1510	0.000	1	125.1244	3.100	17	124.0079	6.196	35	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CC)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C)(CC[5a]C)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CC)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	123.1227	0.561	4	123.1227	0.315	4	125.1244	3.100	17	124.0079	6.196	35	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CN)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]C)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CN)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]C){1|C<2>,1|C<4>}	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	124.7520	0.000	1	124.7520	0.000	1	125.1244	3.100	17	124.0079	6.196	35	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(NC[6a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]N)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]N)	C(C[5a]C[5a]N[5a])2(NC[6a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]N){2|H<1>}	116.4320	0.867	2	116.4320	0.752	2	116.4320	0.752	2	124.0079	6.196	35	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N-2:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(NC)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5a]N)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5a]N)	C(C[5a]C[5a]N[5a])2(NC)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5a]N){2|H<1>}	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5a]N){2|H<1>}	122.8580	0.000	1	122.8580	0.000	1	123.9567	0.453	7	124.0079	6.196	35	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N-2:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(NN)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]N)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]N)	C(C[5a]C[5a]N[5a])2(NN)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]N){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]N){1|C<3>,1|H<1>}	124.0390	0.544	4	124.0390	0.296	4	123.9567	0.453	7	124.0079	6.196	35	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N-2:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(NN)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]N)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]N)	C(C[5a]C[5a]N[5a])2(NN)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]N){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]N){1|C<3>,1|H<1>}	124.7300	0.000	1	124.7300	0.000	1	123.9567	0.453	7	124.0079	6.196	35	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N-2:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(NO)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]N)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]N)	C(C[5a]C[5a]N[5a])2(NO)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]N){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]N){1|C<3>,1|H<1>}	123.9530	0.000	1	123.9530	0.000	1	123.9567	0.453	7	124.0079	6.196	35	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:O-2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(ORe)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]O)	C(C[5a]C[5a]N[5a])2(ORe)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5a]O){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]O){2|H<1>}	124.7900	0.000	1	124.7900	0.000	1	124.7900	0.000	1	124.0079	6.196	35	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:O-2:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(OH)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]O)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]O)	C(C[5a]C[5a]N[5a])2(OH)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]O){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]O){1|C<3>,1|H<1>}	124.1990	0.000	1	124.1990	0.000	1	124.1990	0.000	1	124.0079	6.196	35	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:S-2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(SCo)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]S)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]S)	C(C[5a]C[5a]N[5a])2(SCo)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]S){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]S){2|H<1>}	123.6913	1.160	3	123.6913	1.346	3	122.8398	2.182	5	124.0079	6.196	35	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:S-2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(SHg)	C[5a](N[5a]C[5a]Hg)(C[5a]C[5a]H)(CC[5a]S)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]S)	C(C[5a]C[5a]N[5a])2(SHg)	C[5a](N[5a]C[5a]Hg)(C[5a]C[5a]H)(CC[5a]S){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]S){2|H<1>}	121.5625	0.774	2	121.5625	0.600	2	122.8398	2.182	5	124.0079	6.196	35	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:S-2:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(SC)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5a]S)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5a]S)	C(C[5a]C[5a]N[5a])2(SC)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5a]S){2|H<1>}	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5a]S){2|H<1>}	126.1950	0.000	1	126.1950	0.000	1	124.7055	4.437	2	124.0079	6.196	35	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:S-2:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(SC[6a])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]S)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]S)	C(C[5a]C[5a]N[5a])2(SC[6a])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]S){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]S){1|C<3>,1|H<1>}	123.2160	0.000	1	123.2160	0.000	1	124.7055	4.437	2	124.0079	6.196	35	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	2:2:3:	2:2:3:	C[5a]-3:C[5a]-3:C-3:	N[5a]-2:O[5a]-2:C-3:	N[5a]-2:O[5a]-2:C-3:	C(C[5a]N[5a]O[5a])2(CC[5a]2)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]C)	C(C[5a]N[5a]O[5a])2(CC[5a]2)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]C){2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]C){2|C<3>}	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	113.3050	0.398	2	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	2:2:3:	2:2:3:	C[5a]-3:C[5a]-3:C-3:	N[5a]-2:S[5a]-2:C-3:	N[5a]-2:S[5a]-2:C-3:	C(C[5a]N[5a]S[5a])2(CC[5a]2)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]C)	C(C[5a]N[5a]S[5a])2(CC[5a]2)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]C){2|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]C){2|C<3>}	112.8590	0.000	1	112.8590	0.000	1	112.8590	0.000	1	113.3050	0.398	2	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])2(CC[5a]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]C)	C(C[5a]C[5a]O[5a])2(CC[5a]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]C){2|H<1>}	114.7215	0.782	4	114.7215	0.612	4	114.7215	0.612	4	115.4934	17.193	12	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])2(CC[5a]2)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]C)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]C)	C(C[5a]C[5a]S[5a])2(CC[5a]2)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]C){1|C<3>,1|H<1>}	116.7920	4.282	2	114.2810	6.774	7	114.2810	6.774	7	115.4934	17.193	12	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])2(CC[5a]2)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]C)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]C)	C(C[5a]C[5a]S[5a])2(CC[5a]2)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]C){1|Si<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]C){1|C<3>,1|H<1>}	113.3190	1.577	2	114.2810	6.774	7	114.2810	6.774	7	115.4934	17.193	12	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])2(CC[5a]2)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]C)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]C)	C(C[5a]C[5a]S[5a])2(CC[5a]2)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]C){1|Si<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]C){1|Si<4>,1|H<1>}	113.2483	1.039	3	114.2810	6.774	7	114.2810	6.774	7	115.4934	17.193	12	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[5a]C[6a]){1|C<3>,1|S<2>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]C[6a]){2|C<3>}	127.0680	0.000	1	127.0680	0.000	1	127.0680	0.000	1	115.4934	17.193	12	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CCH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CCH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]C){1|H<1>,1|S<4>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[5a]C){2|H<1>}	119.7670	0.000	1	119.7670	0.000	1	119.7670	0.000	1	123.6525	30.194	2	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[5a]C[6a]){1|C<3>,1|S<2>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[5a]C[6a]){2|C<3>}	127.5380	0.000	1	127.5380	0.000	1	127.5380	0.000	1	123.6525	30.194	2	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:O[5a]-2:	C-3:C[5a]-3:O[5a]-2:	C(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	127.2946	2.854	19	127.2946	8.143	19	127.2946	8.143	19	126.9093	5.855	30	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:S[5a]-2:	C-3:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	126.2437	1.246	11	126.2437	1.554	11	126.2437	1.554	11	126.9093	5.855	30	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C-3:N[5a]-2:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(N[5a]C[5a]){1|Re<6>,1|C<3>,1|H<1>,1|N<3>}	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	126.9810	0.000	1	126.9810	0.000	1	126.9810	0.000	1	126.9810	0.000	1	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(CCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]C)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(CCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]C){1|H<1>,1|S<4>}	117.6830	0.000	1	117.6830	0.000	1	117.6830	0.000	1	117.6830	0.000	1	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C-3:O[5a]-2:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(CC[5a]C[5])(O[5a]C[5a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(CC[5a]C[5])(O[5a]C[5a]){2|H<1>}	117.9820	0.460	2	117.9820	0.211	2	117.9820	0.211	2	125.3669	10.577	32	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:N[5a]-3:	C-3:C[5a]-3:O[5a]-2:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	129.2233	0.789	8	128.8564	1.092	10	128.8564	1.092	10	125.3669	10.577	32	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:N[5a]-3:	C-3:C[5a]-3:O[5a]-2:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	127.3890	0.290	2	128.8564	1.092	10	128.8564	1.092	10	125.3669	10.577	32	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:N[5a]-3:	C-3:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<2>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	123.9255	0.764	2	123.8035	2.088	13	123.8035	2.088	13	125.3669	10.577	32	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:N[5a]-3:	C-3:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	123.3238	1.274	9	123.8035	2.088	13	123.8035	2.088	13	125.3669	10.577	32	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:N[5a]-3:	C-3:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	125.8405	1.047	2	123.8035	2.088	13	123.8035	2.088	13	125.3669	10.577	32	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a,5a]-3:C-3:C[5a]-3:	C-3:C[5a]-3:O[5a]-2:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]C[5a])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]C[5a])(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	129.0870	0.000	1	129.0870	0.000	1	129.0870	0.000	1	125.3669	10.577	32	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a,5a]-3:C-3:C[5a]-3:	C-3:C[5a]-3:S[5a]-2:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	124.1130	0.000	1	124.1130	0.000	1	124.1130	0.000	1	125.3669	10.577	32	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	C-3:C[5a]-3:O[5a]-2:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	126.4860	0.515	2	126.4860	0.265	2	126.4860	0.265	2	125.3669	10.577	32	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	C-3:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	124.4995	1.681	2	124.4995	2.825	2	124.4995	2.825	2	125.3669	10.577	32	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:O[5a]-2:	C(C[5a]C[5a]N[5a])(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(O[5a]C[5a])	C(C[5a]C[5a]N[5a])(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(O[5a]C[5a]){1|C<3>,1|O<1>}	122.5970	0.000	1	122.5970	0.000	1	122.5970	0.000	1	125.3669	10.577	32	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C){2|C<4>}	118.0105	0.639	2	118.0105	0.408	2	118.0105	0.408	2	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CCC)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]C)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CCC)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	118.2980	0.000	1	118.2980	0.000	1	122.1120	13.535	9	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CCH)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]C)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CCH)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	121.6510	3.058	3	121.6510	9.350	3	122.1120	13.535	9	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CCH)	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]C)(CC[5a]C)	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]C)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CCH)	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	123.7520	0.000	1	123.7520	0.000	1	122.1120	13.535	9	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CCH)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]C)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CCH)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	115.9440	0.000	1	115.9440	0.000	1	122.1120	13.535	9	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CCH)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]C)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CCH)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	125.7040	1.182	2	125.7040	1.398	2	122.1120	13.535	9	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CCH)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]C)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CCH)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	124.6530	0.000	1	124.6530	0.000	1	122.1120	13.535	9	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[5]N[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]C[5])	C(C[5a]C[5a]N[5a])2(C[5]N[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]C[5]){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]C[5]){1|C<3>,1|O<2>}	122.6200	0.000	1	122.6200	0.000	1	122.6200	0.000	1	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CC[5a]2)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[5a]2)	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CC[5a]2){1|B<4>,1|C<3>}	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[5a]2){2|H<1>}	116.8375	0.021	2	116.8375	0.000	2	118.6072	2.323	6	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]2)	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5a]2){1|Ni<4>,1|C<3>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]2){1|C<3>,1|H<1>}	119.4920	0.860	4	119.4920	0.740	4	118.6072	2.323	6	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]2)	C(C[5a]C[5a]N[5a])3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]2){2|H<1>}	117.3655	3.846	2	117.3655	14.791	2	117.3655	14.791	2	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]2)	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]2){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]2){1|C<3>,1|H<1>}	120.8190	0.000	2	120.8190	0.000	2	123.2993	8.377	4	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]2)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[5a]2)	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]2)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[5a]2){2|H<1>}	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[5a]2){2|H<1>}	126.2910	0.000	1	126.2910	0.000	1	123.2993	8.377	4	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])3	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]2)	C(C[5a]C[5a]N[5a])3	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]2){2|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]2){2|H<1>}	125.2680	0.000	1	125.2680	0.000	1	123.2993	8.377	4	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C[6])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C[6])	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|C<4>}	123.4290	0.000	1	123.4290	0.000	1	122.4070	2.089	2	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]C[6])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]C[6])	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]C[6]){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]C[6]){4|C<3>}	121.3850	0.000	1	121.3850	0.000	1	122.4070	2.089	2	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6])	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6]){2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6]){2|C<3>,2|H<1>}	123.1890	0.849	2	123.1890	0.720	2	123.2573	0.374	3	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]N[6])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6])	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]N[6])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6]){2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6]){2|C<3>,2|H<1>}	123.3940	0.000	1	123.3940	0.000	1	123.2573	0.374	3	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6]C[6,6a]C[6])	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[6])	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[6])	C(C[5a]C[5a]N[5a])2(C[6]C[6,6a]C[6])	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[6]){2|H<1>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[6]){2|H<1>}	125.4587	0.710	3	125.4587	0.504	3	124.4246	4.765	13	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[6])	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[6])	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|H<1>}	123.5905	0.030	2	124.7807	1.894	4	124.4246	4.765	13	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[6])	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[6])	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[6]){2|H<1>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[6]){2|H<1>}	125.9710	0.119	2	124.7807	1.894	4	124.4246	4.765	13	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[6])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[6])	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|H<1>}	123.0115	0.305	2	123.0115	0.093	2	124.4246	4.765	13	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[5a]C[6])	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[5a]C[6])	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|H<1>}	125.6350	0.000	1	125.6350	0.000	1	124.4246	4.765	13	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]C[6])	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]C[6])	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|H<1>}	125.9335	1.231	2	125.9335	1.516	2	124.4246	4.765	13	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6]C[6]N[6])	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]C[6])	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]C[6])	C(C[5a]C[5a]N[5a])2(C[6]C[6]N[6])	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|H<1>}	118.4960	0.000	1	118.4960	0.000	1	124.4246	4.765	13	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:C[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	124.6262	0.540	4	124.9400	0.711	5	126.3453	6.242	7	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:C[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|Pd<4>,1|C<3>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	126.1950	0.000	1	124.9400	0.711	5	126.3453	6.242	7	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:C[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]O)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]O){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	129.8585	0.227	2	129.8585	0.052	2	126.3453	6.242	7	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|Ir<4>,1|C<3>}	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	113.9560	0.000	1	113.9560	0.000	1	125.0470	52.074	7	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|Pd<4>,1|C<3>}	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	123.8270	0.000	1	123.8270	0.000	1	125.0470	52.074	7	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|Zn<4>,1|C<3>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	120.7835	0.998	2	120.7835	0.995	2	125.0470	52.074	7	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]O)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]O){1|Ni<4>,1|C<3>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	131.0750	0.894	2	131.0750	0.799	2	125.0470	52.074	7	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]O)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]O){1|Zn<5>,1|C<3>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	133.8290	0.000	1	133.8290	0.000	1	125.0470	52.074	7	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:N[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	124.3130	0.538	3	124.3130	0.290	3	124.3908	6.100	72	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:N[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	130.2225	1.439	2	130.2225	2.071	2	124.3908	6.100	72	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:N[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	124.0810	2.359	49	124.0028	5.796	57	124.3908	6.100	72	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:N[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	126.7705	1.934	2	124.0028	5.796	57	124.3908	6.100	72	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:N[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>}	123.2570	0.666	2	124.0028	5.796	57	124.3908	6.100	72	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:N[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Ni<4>,1|C<3>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	119.5020	0.000	1	124.0028	5.796	57	124.3908	6.100	72	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:N[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Pd<4>,1|C<3>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	119.9950	0.000	1	124.0028	5.796	57	124.3908	6.100	72	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:N[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	124.3195	0.183	2	124.0028	5.796	57	124.3908	6.100	72	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:N[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]V)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]V)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]V){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]V){1|C<3>,1|H<1>}	124.5325	0.779	6	124.5325	0.607	6	124.3908	6.100	72	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:N[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]W)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]W)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]W){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]W){1|C<3>,1|H<1>}	126.8498	0.793	4	126.8498	0.629	4	124.3908	6.100	72	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C-3:C[5a]-3:N[5a]-3:	C[5a]-3:C-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(CC[5a]C[6a])(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(CC[5a]C[6a])(N[5a]C[5a]H){4|C<3>}	122.4317	2.474	4	122.4317	6.122	4	122.4317	6.122	4	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:N[5a]-3:C-3:	C[5,5a]-3:N[5a]-3:C-3:	C(C[5a]C[5,5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]N[5])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C[5a](C[5,5a]C[5,5a]N[5])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C(C[5a]C[5,5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]N[5])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5,5a]C[5,5a]N[5])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	121.0450	0.000	1	121.0450	0.000	1	121.0450	0.000	1	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:N[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]N[5])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]N[5])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	121.8110	0.438	2	121.8110	0.192	2	121.8110	0.192	2	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|C<4>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	121.2690	0.000	2	121.6810	0.226	4	122.3325	1.168	6	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|N<3>,3|C<3>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	122.0930	0.000	2	121.6810	0.226	4	122.3325	1.168	6	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|N<2>,3|C<3>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	123.6355	0.258	2	123.6355	0.067	2	122.3325	1.168	6	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6]-3:N[5a]-3:C-3:	C[5a,6,6]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6,6]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]Zn)(CC[5a]C[6a])	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]Zn)(CC[5a]C[6a])	C(C[5a]C[5a,6,6]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]Zn)(CC[5a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]Zn)(CC[5a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	125.6340	0.300	2	125.6340	0.090	2	125.6340	0.090	2	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C-3:N[5a]-3:	C[5a,6]-3:C-3:N[5a]-3:	C(C[5a]C[5a,6]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(N[5a]C[5a]H)	C(C[5a]C[5a,6]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	124.7980	0.000	1	124.7980	0.000	1	124.7980	0.000	1	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C-3:C[5a]-3:	C[5a,6a]-3:C-3:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]N[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	124.3020	0.000	1	124.3020	0.000	1	124.3020	0.000	1	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ir)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ir)(CC[5a]C[6a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	126.7270	0.000	1	126.7270	0.000	1	126.7270	0.000	1	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a])	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a]){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a]){1|H<1>,3|C<3>}	124.6292	1.256	4	124.6292	1.576	4	124.7369	1.674	9	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(CC[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(CC[5a]C[6a])	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(CC[5a]C[6a]){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(CC[5a]C[6a]){1|H<1>,3|C<3>}	123.2575	0.043	2	123.2575	0.002	2	124.7369	1.674	9	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(CC[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(CC[5a]C[6a])	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(CC[5a]C[6a]){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(CC[5a]C[6a]){1|H<1>,3|C<3>}	125.9910	0.000	1	125.9910	0.000	1	124.7369	1.674	9	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(CC[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(CC[5a]C[6a])	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(CC[5a]C[6a]){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(CC[5a]C[6a]){1|H<1>,3|C<3>}	125.8045	0.617	2	125.8045	0.381	2	124.7369	1.674	9	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|N<2>,3|C<3>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	121.9355	0.494	2	121.9355	0.244	2	122.8730	3.197	6	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|N<3>,2|C<3>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	121.5615	0.408	2	121.5615	0.166	2	122.8730	3.197	6	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]Zn)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]Zn)(CC[5a]C[6a]){1|N<2>,2|C<3>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	125.1220	0.511	2	125.1220	0.261	2	122.8730	3.197	6	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:C[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]N[5a])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]N[5a])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	121.3790	0.000	1	121.3790	0.000	1	121.3790	0.000	1	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:C[5a]-3:	C[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]2)2(C[6a]C[6a]2)	C[5a](C[5a]N[5a]C[5])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)	C[5a](C[5a]N[5a]C[5])(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]C[5])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	128.0810	0.000	1	128.0810	0.000	1	128.0810	0.000	1	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	119.4190	0.952	2	119.4190	0.906	2	120.5473	1.910	6	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	122.1510	0.351	2	122.1510	0.123	2	120.5473	1.910	6	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	120.5070	0.000	1	120.5070	0.000	1	120.5473	1.910	6	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	119.6370	0.000	1	119.6370	0.000	1	120.5473	1.910	6	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:N[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Br)(CC[5a]C[6a])(N[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Br)(CC[5a]C[6a])(N[5a]C[5a]H){1|Br<1>,1|C<3>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	123.5066	0.890	5	123.5066	0.791	5	122.8789	1.715	7	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:N[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[5])(CC[5a]C[6a])(N[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[5])(CC[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	121.3095	0.480	2	121.3095	0.231	2	122.8789	1.715	7	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:N[5a]-3:	C[5a]-3:C-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(CC[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(CC[5a]C[6a])(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(CC[5a]C[6a])(N[5a]C[5a]H){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(CC[5a]C[6a])(N[5a]C[5a]H){4|C<3>}	120.7980	1.055	5	120.7980	1.113	5	120.7980	1.113	5	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:N[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Co)(CC[5a]C[6a])(N[5a]C[5a]H)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Co)(CC[5a]C[6a])(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	119.3480	0.059	2	119.3480	0.004	2	119.9489	3.839	7	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:N[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Cu)(CC[5a]C[6a])(N[5a]C[5a]H)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Cu)(CC[5a]C[6a])(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.4260	0.000	1	117.4260	0.000	1	119.9489	3.839	7	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:N[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Mn)(CC[5a]C[6a])(N[5a]C[5a]C)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Mn)(CC[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	120.0930	0.000	1	120.0930	0.000	1	119.9489	3.839	7	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:N[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Ni)(CC[5a]C[6a])(N[5a]C[5a]C)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Ni)(CC[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.9100	0.000	1	118.9100	0.000	1	119.9489	3.839	7	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:N[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Ni)(CC[5a]C[6a])(N[5a]C[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Ni)(CC[5a]C[6a])(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	120.8140	0.000	1	120.8140	0.000	1	119.9489	3.839	7	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:N[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Pd)(CC[5a]C[6a])(N[5a]C[5a]H)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Pd)(CC[5a]C[6a])(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	123.7030	0.000	1	123.7030	0.000	1	119.9489	3.839	7	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[5a]C[6a])	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[5a]C[6a]){4|C<3>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	121.9520	0.000	1	121.9520	0.000	1	121.9520	0.000	1	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Fe)(CC[5a]C[6a])	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Fe)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Fe)(CC[5a]C[6a]){1|Br<1>,1|C<3>}	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Fe)(CC[5a]C[6a]){1|Br<1>,1|C<3>}	123.9451	0.912	14	123.9451	0.832	14	123.3612	5.543	34	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Mn)(CC[5a]C[6a])	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Mn)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Mn)(CC[5a]C[6a]){1|Br<1>,1|C<3>}	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Mn)(CC[5a]C[6a]){1|Br<1>,1|C<3>}	124.9910	2.426	3	124.9910	5.885	3	123.3612	5.543	34	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a]){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a]){4|C<3>}	122.8380	1.939	2	122.8380	3.759	2	123.3612	5.543	34	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	121.4750	0.000	1	121.4750	0.000	1	123.3612	5.543	34	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Sn)(CC[5a]C[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Sn)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Sn)(CC[5a]C[6a]){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Sn)(CC[5a]C[6a]){4|C<3>}	127.3255	0.499	2	127.3255	0.249	2	123.3612	5.543	34	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(CC[5a]C[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(CC[5a]C[6a]){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(CC[5a]C[6a]){4|C<3>}	125.4905	0.245	4	125.4905	0.060	4	123.3612	5.543	34	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]Ni)(CC[5a]C[6a])	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]Ni)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|Cl<1>,1|C<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|Cl<1>,1|C<3>}	120.0391	0.453	8	120.0391	0.205	8	123.3612	5.543	34	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]B[5])(N[5a]C[5a]Cu)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]B[5])(N[5a]C[5a]Cu)(CC[5a]C[6a]){1|C<3>,1|H<1>,2|O<2>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	123.6060	0.000	2	123.6060	0.000	2	123.9586	1.477	21	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Fe)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Fe)(CC[5a]C[6a]){1|Br<1>,1|C<3>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	123.3177	0.759	6	123.3177	0.576	6	123.9586	1.477	21	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Ni)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|Br<1>,1|C<3>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<2>,1|C<3>}	124.6220	0.175	4	124.6220	0.030	4	123.9586	1.477	21	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Ni)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|Br<1>,1|C<3>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	121.4890	0.475	2	121.4890	0.226	2	123.9586	1.477	21	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Zn)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Zn)(CC[5a]C[6a]){1|Br<1>,1|C<3>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	125.2827	0.297	4	125.2827	0.088	4	123.9586	1.477	21	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	123.5940	0.000	1	123.5940	0.000	1	123.9586	1.477	21	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	124.4450	0.000	1	124.4450	0.000	1	123.9586	1.477	21	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Zn)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Zn)(CC[5a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	125.3770	0.000	1	125.3770	0.000	1	123.9586	1.477	21	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a,5a]-3:C-3:C[5a]-3:	C-3:C[5a]-3:C[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]C[5,5a])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]C[5,5a])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>}	122.1010	0.000	1	122.1010	0.000	1	122.1010	0.000	1	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a,5a]-3:C-3:C[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	123.0250	4.063	3	123.0250	16.512	3	123.0250	16.512	3	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a,5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	133.9370	0.000	1	133.9370	0.000	1	132.1953	19.594	10	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a,5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	134.6810	0.497	3	134.6810	0.247	3	132.1953	19.594	10	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a,5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	134.0450	0.976	4	134.0450	0.952	4	132.1953	19.594	10	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a,5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]C[5a])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]C[5a])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	123.8965	0.022	2	123.8965	0.000	2	132.1953	19.594	10	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:C-3:C[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]N[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]N[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	130.5410	0.000	1	130.5410	0.000	1	130.5410	0.000	1	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:C-3:C[5a]-3:	N[5a,6]-3:C-3:C[5a]-3:	C(C[5a]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a](N[5a,6]C[5a,6]B[6])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a](N[5a,6]C[5a,6]B[6])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|H<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|H<2>,1|N<3>,2|C<3>}	132.7930	0.000	1	132.7930	0.000	1	132.7930	0.000	1	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a,6]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(C[5a]C[5a]H){1|Re<6>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	126.9900	0.000	1	126.9900	0.000	1	126.9900	0.000	1	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C-3:C[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	130.6470	0.000	1	130.6470	0.000	1	130.6470	0.000	1	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]C[5a]H){1|Re<6>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	130.3860	0.000	1	130.3860	0.000	1	130.3860	0.000	1	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	C-3:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Hg)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Hg)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>}	122.1670	0.000	1	122.1670	0.000	1	121.6540	0.526	2	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	C-3:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>}	121.1410	0.000	1	121.1410	0.000	1	121.6540	0.526	2	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Hg)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Hg)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	121.3250	0.000	1	121.3250	0.000	1	123.7630	16.505	10	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	122.0800	0.000	1	122.0800	0.000	1	123.7630	16.505	10	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	123.0110	4.747	4	123.0110	22.535	4	123.7630	16.505	10	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	131.3540	0.000	1	131.3540	0.000	1	123.7630	16.505	10	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	124.9550	1.157	2	124.9550	1.338	2	123.7630	16.505	10	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	120.9170	0.000	1	120.9170	0.000	1	123.7630	16.505	10	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Co)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Co)(CC[5a]C[6a]){4|C<3>}	123.4125	0.185	2	123.4125	0.034	2	124.2685	0.663	11	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a]){4|C<3>}	124.0100	0.440	2	124.0100	0.193	2	124.2685	0.663	11	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a]){4|C<3>}	124.1632	0.487	5	124.1632	0.237	5	124.2685	0.663	11	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){4|C<3>}	125.6460	0.086	2	125.6460	0.007	2	124.2685	0.663	11	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[5,6,6a]2)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[5,6,6a]2)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	124.4813	1.773	4	124.4813	3.144	4	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[5,6,6a]2)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[5,6,6a]2)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	124.5575	0.517	4	124.5575	0.267	4	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	123.1750	0.000	1	123.3964	0.205	5	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	123.0590	0.147	2	123.3964	0.205	5	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	123.8445	0.344	2	123.3964	0.205	5	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	128.6170	0.192	2	128.1245	0.341	4	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){2|C<4>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){2|C<4>}	127.6320	0.120	2	128.1245	0.341	4	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	127.3690	0.802	2	127.5025	0.240	4	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	127.6360	0.078	2	127.5025	0.240	4	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ag)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ag)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ag)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ag)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	126.3614	0.544	8	126.3614	0.296	8	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Al)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Al)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Al)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Al)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	126.0747	0.230	3	126.0747	0.053	3	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Al)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Al)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Al)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Al)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	124.6839	0.693	8	124.6839	0.480	8	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<2>,1|C<3>}	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<2>,1|C<3>}	125.9750	0.833	2	125.9750	0.694	2	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	124.9025	0.731	11	124.9025	0.534	11	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cd)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cd)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cd)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	126.7767	0.664	6	126.7767	0.441	6	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]F)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]F)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]F){1|C<3>,1|F<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]F){1|C<3>,1|F<1>}	122.6450	1.151	6	122.6450	1.326	6	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	123.0191	1.179	84	123.6626	2.153	124	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){2|C<3>}	122.5650	0.615	2	123.6626	2.153	124	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	126.2340	0.048	2	123.6626	2.153	124	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	124.6343	0.453	3	123.6626	2.153	124	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	125.1228	0.883	33	123.6626	2.153	124	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]N)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]N){1|C<3>,1|N<3>}	121.5050	0.000	1	121.5050	0.000	1	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cr)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cr)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cr)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cr)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	124.1680	1.969	3	125.6972	11.939	4	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cr)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cr)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cr)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Cr)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	130.2850	0.000	1	125.6972	11.939	4	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	123.6927	0.356	3	125.9637	7.934	6	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	128.2347	2.058	3	125.9637	7.934	6	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	123.8605	0.464	4	122.5600	2.093	8	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	121.2595	0.397	4	122.5600	2.093	8	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|B<3>,1|C<3>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	123.9450	0.000	2	124.6536	4.434	119	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	123.9932	1.601	76	124.6536	4.434	119	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	126.9570	1.509	2	124.6536	4.434	119	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){2|C<3>}	123.2950	0.718	3	124.6536	4.434	119	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	132.3167	5.441	3	124.6536	4.434	119	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|H<1>}	127.9800	0.000	1	124.6536	4.434	119	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>}	125.4330	0.000	1	124.6536	4.434	119	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	125.4273	0.626	31	124.6536	4.434	119	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]N)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]N){1|C<3>,1|O<2>}	121.9660	0.000	1	121.9660	0.000	1	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	122.2560	0.989	25	122.2560	0.979	25	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	124.1011	1.181	230	124.2112	1.772	244	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	129.0857	0.660	4	124.2112	1.772	244	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	124.7617	0.433	3	124.2112	1.772	244	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>}	123.6797	0.294	3	124.2112	1.772	244	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	125.6540	0.598	4	124.2112	1.772	244	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]N)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]N){1|C<3>,1|H<1>}	121.8186	0.207	8	121.8186	0.043	8	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Hg)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Hg)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Hg)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Hg)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	127.0023	1.302	6	127.0023	1.695	6	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	125.0800	1.156	92	125.3905	1.886	112	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>}	127.9940	0.000	1	125.3905	1.886	112	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	126.7573	1.427	19	125.3905	1.886	112	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Li)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Li)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Li)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Li)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	124.4000	0.999	6	124.4000	0.998	6	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Mg)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Mg)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Mg)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Mg)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	127.5055	0.483	2	127.5055	0.233	2	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	124.2395	0.077	2	124.2395	0.006	2	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	124.2776	1.111	118	124.3424	1.395	121	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>}	125.5100	0.000	1	124.3424	1.395	121	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	127.5845	0.429	2	124.3424	1.395	121	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Mo)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Mo)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Mo)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Mo)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	126.0779	1.016	30	126.0779	1.032	30	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	122.0416	0.476	8	122.5103	2.176	9	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	126.2600	0.000	1	122.5103	2.176	9	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<2>,1|C<3>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	124.7703	0.114	4	123.5860	2.256	7	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	121.7570	0.174	2	123.5860	2.256	7	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	122.5070	0.000	1	123.5860	2.256	7	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){2|C<4>}	121.4505	1.027	2	121.4505	1.056	2	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	122.3723	1.391	173	122.5980	2.728	233	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>}	125.5640	0.000	1	122.5980	2.728	233	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|O<2>}	123.5875	0.971	2	122.5980	2.728	233	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	124.9110	0.000	1	122.5980	2.728	233	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|P<4>}	122.4947	0.125	4	122.5980	2.728	233	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){2|C<3>}	121.1749	0.744	8	122.5980	2.728	233	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	122.5068	0.650	12	122.5980	2.728	233	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>}	122.0948	0.182	4	122.5980	2.728	233	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	127.1352	2.058	6	122.5980	2.728	233	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>}	122.1410	0.000	1	122.5980	2.728	233	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>}	121.8598	0.404	6	122.5980	2.728	233	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	124.2217	2.067	15	122.5980	2.728	233	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]N)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]N){1|C<3>,1|H<1>}	123.0515	1.042	2	123.0515	1.085	2	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Os)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Os)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Os)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Os)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	126.3989	1.208	22	126.3989	1.460	22	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	122.8245	0.274	2	122.8245	0.075	2	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	124.1913	1.194	33	124.5272	1.583	48	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>}	126.7400	0.147	4	124.5272	1.583	48	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	124.6145	0.675	2	124.5272	1.583	48	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>}	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>}	123.6030	0.000	1	124.5272	1.583	48	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	124.8997	0.655	8	124.5272	1.583	48	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	125.5240	0.000	1	125.5240	0.000	1	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<2>,1|C<3>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	124.9665	0.234	4	124.9665	0.055	4	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]F)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]F)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]F){1|C<3>,1|F<1>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]F){1|C<3>,1|F<1>}	123.5632	1.010	4	123.5632	1.019	4	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	124.7207	1.183	34	124.6879	1.332	37	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>}	124.2590	0.000	1	124.6879	1.332	37	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	124.3450	1.129	2	124.6879	1.332	37	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]O[5a]O)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]O[5a]O){1|C<3>}	123.2160	0.000	1	123.2160	0.000	1	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	123.2289	1.689	15	125.0317	5.166	29	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	126.9632	0.537	14	125.0317	5.166	29	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	125.9192	0.909	5	125.9192	0.827	5	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	124.6613	0.626	105	124.8070	0.666	115	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	127.4430	0.395	2	124.8070	0.666	115	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	126.0596	0.950	8	124.8070	0.666	115	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	126.5720	0.000	1	126.5720	0.000	1	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	125.4849	1.088	82	125.5378	1.163	88	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	126.2608	0.636	6	125.5378	1.163	88	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Sb)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Sb)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Sb)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Sb)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	125.5841	0.956	21	125.5841	0.914	21	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	127.5630	0.809	3	127.5630	0.655	3	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	126.2460	1.091	93	126.2520	1.168	95	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	126.5330	0.358	2	126.2520	1.168	95	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ti)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ti)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ti)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ti)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	124.7265	0.360	4	124.7265	0.129	4	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	126.2018	0.799	16	126.8550	1.070	27	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>}	127.7933	0.484	3	126.8550	1.070	27	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	127.7680	0.436	6	126.8550	1.070	27	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){2|C<4>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){2|C<4>}	127.9345	0.145	2	126.8550	1.070	27	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	124.9302	0.526	6	124.9302	0.276	6	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|C<3>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	125.1195	0.523	2	125.5445	1.691	195	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	125.2115	1.157	156	125.5445	1.691	195	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>}	125.2210	0.000	1	125.5445	1.691	195	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|O<2>}	127.0420	0.000	1	125.5445	1.691	195	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	126.8440	1.032	2	125.5445	1.691	195	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>}	125.1585	0.218	2	125.5445	1.691	195	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	126.7812	0.831	11	125.5445	1.691	195	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	127.3873	0.518	6	125.5445	1.691	195	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	126.4440	0.399	2	125.5445	1.691	195	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	127.4893	0.507	12	125.5445	1.691	195	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	124.4880	0.000	1	124.8943	0.188	3	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	125.0975	0.357	2	124.8943	0.188	3	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	125.8390	0.000	1	125.8390	0.000	1	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]N[6a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]N[6a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	124.6850	0.000	1	124.6850	0.000	1	124.5812	3.254	1850	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6]Ni)(C[5a]C[5a,6]H)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a,6]Ni)(C[5a]C[5a,6]H)(CC[5a]C[6a]){2|C<3>}	121.7470	0.014	2	121.7470	0.000	2	122.3560	2.398	7	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6]Ni)(C[5a]C[5a,6]N)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a,6]Ni)(C[5a]C[5a,6]N)(CC[5a]C[6a]){2|C<3>}	121.2847	0.290	3	121.2847	0.084	3	122.3560	2.398	7	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5,5a]Zn)(C[5a]C[5,5a]H)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5,5a]Zn)(C[5a]C[5,5a]H)(CC[5a]C[6a]){2|C<3>}	124.5720	0.465	2	124.5720	0.216	2	122.3560	2.398	7	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5,5a]Ni)(C[5a]C[5,5a]H)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5,5a]Ni)(C[5a]C[5,5a]H)(CC[5a]C[6a]){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	120.8975	1.087	2	120.8975	1.181	2	121.1949	0.612	12	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a,5a]Mn)(C[5a]C[5a,5a]H)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a,5a]Mn)(C[5a]C[5a,5a]H)(CC[5a]C[6a]){1|C<3>,1|N<3>}	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	121.1370	0.000	1	121.1370	0.000	1	121.1949	0.612	12	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a,5a]Re)(C[5a]C[5a,5a]H)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a,5a]Re)(C[5a]C[5a,5a]H)(CC[5a]C[6a]){1|C<3>,1|N<3>}	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	121.2620	0.301	3	121.2620	0.091	3	121.1949	0.612	12	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a,5a]Ru)(C[5a]C[5a,5a]H)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a,5a]Ru)(C[5a]C[5a,5a]H)(CC[5a]C[6a]){1|C<3>,1|N<3>}	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	121.7103	0.813	4	121.7103	0.661	4	121.1949	0.612	12	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]Ni)(C[5a]C[5a,6]H)(CC[5a]C[6a])	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]Ni)(C[5a]C[5a,6]H)(CC[5a]C[6a]){1|C<3>,1|N<3>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	120.3900	0.915	2	120.3900	0.837	2	121.1949	0.612	12	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]Ni)(C[5a]C[5a,6]H)(CC[5a]C[6a])	C[5a](N[5a]C[5a,6]Ni)(C[5a]C[5a,6]H)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]Ni)(C[5a]C[5a,6]H)(CC[5a]C[6a]){2|C<3>}	C[5a](N[5a]C[5a,6]Ni)(C[5a]C[5a,6]H)(CC[5a]C[6a]){2|C<3>}	122.3640	0.000	1	122.3640	0.000	1	123.5970	3.041	2	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]Zn)(C[5a]C[5a,6]H)(CC[5a]C[6a])	C[5a](N[5a]C[5a,6]Zn)(C[5a]C[5a,6]H)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]Zn)(C[5a]C[5a,6]H)(CC[5a]C[6a]){2|C<3>}	C[5a](N[5a]C[5a,6]Zn)(C[5a]C[5a,6]H)(CC[5a]C[6a]){2|C<3>}	124.8300	0.000	1	124.8300	0.000	1	123.5970	3.041	2	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(NCH)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]N)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]N)	C(C[5a]C[5a]N[5a])2(NCH)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]N){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]N){1|C<3>,1|H<1>}	122.4315	3.109	2	122.4315	9.667	2	128.8343	6.221	35	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(NHH)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]N)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]N)	C(C[5a]C[5a]N[5a])2(NHH)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]N){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]N){1|C<3>,1|H<1>}	121.7310	0.000	1	121.7310	0.000	1	128.8343	6.221	35	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(NOO)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]N)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]N)	C(C[5a]C[5a]N[5a])2(NOO)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]N){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]N){1|C<3>,1|C<4>}	128.4431	0.849	16	128.4431	0.721	16	128.8343	6.221	35	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(NOO)	C[5a](N[5a]C[5a]Mg)(C[5a]C[5a]C)(CC[5a]N)	C[5a](N[5a]C[5a]Mg)(C[5a]C[5a]C)(CC[5a]N)	C(C[5a]C[5a]N[5a])2(NOO)	C[5a](N[5a]C[5a]Mg)(C[5a]C[5a]C)(CC[5a]N){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Mg)(C[5a]C[5a]C)(CC[5a]N){1|C<3>,1|C<4>}	131.4790	0.586	4	131.4790	0.344	4	128.8343	6.221	35	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(NOO)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]N)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]N)	C(C[5a]C[5a]N[5a])2(NOO)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]N){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]N){1|C<3>,1|C<4>}	130.5465	0.507	4	130.5465	0.257	4	128.8343	6.221	35	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(NOO)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]N)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]N)	C(C[5a]C[5a]N[5a])2(NOO)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]N){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]N){1|C<3>,1|C<4>}	129.9270	0.852	8	129.9270	0.726	8	128.8343	6.221	35	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(N[5]C[5]N[5])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]N[5])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]N[5])	C(C[5a]C[5a]N[5a])2(N[5]C[5]N[5])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]N[5]){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]N[5]){1|C<3>,1|H<1>}	124.4370	0.000	1	124.4370	0.000	1	124.4370	0.000	1	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:S-3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(SRe2)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5a]S)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5a]S)	C(C[5a]C[5a]N[5a])2(SRe2)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5a]S){2|H<1>}	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5a]S){2|H<1>}	126.5910	0.000	1	126.5910	0.000	1	126.5910	0.000	1	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C-3:C[5a]-3:N[5a]-3:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	126.0865	0.542	2	126.0865	0.294	2	126.0865	0.294	2	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[6a]C[4,6a]C[6a])(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[6a]C[4,6a]C[6a])(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	124.8095	0.066	2	124.8095	0.004	2	126.9883	3.517	19	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	124.5420	0.000	1	124.5420	0.000	1	126.9883	3.517	19	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	126.9783	0.580	4	126.9783	0.337	4	126.9883	3.517	19	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	123.8770	0.000	1	128.0286	4.353	9	126.9883	3.517	19	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	128.5475	1.485	8	128.0286	4.353	9	126.9883	3.517	19	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	126.1340	0.000	1	126.1340	0.000	1	126.9883	3.517	19	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	125.9040	0.000	1	125.9040	0.000	1	126.9883	3.517	19	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	N[5a]-3:C-3:C[5a]-3:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	126.4080	0.000	1	126.4080	0.000	1	126.9883	3.517	19	124.5540	4.859	2215	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-4:C-3:C[5a]-3:	N[5a]-4:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Li2)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Li2)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Li2)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Li2)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	122.5977	1.220	3	122.5977	1.488	3	122.5977	1.488	3	122.5977	1.488	3	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)2(CCHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]C)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]C)	C(C[5a]C[5a]2)2(CCHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]C){1|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]C){1|C<3>}	112.9890	0.000	1	112.9890	0.000	1	112.9890	0.000	1	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C){2|C<4>}	122.8060	0.000	1	122.8060	0.000	1	122.8060	0.000	1	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CC3)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CC3)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	119.3695	0.288	2	119.3695	0.083	2	122.6645	4.049	65	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CCCH)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]C)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CCCH)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	121.4372	1.193	6	121.4372	1.423	6	122.6645	4.049	65	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CCHH)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]C)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CCHH)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	121.4910	0.738	3	121.4910	0.545	3	122.6645	4.049	65	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CCHH)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]C)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CCHH)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	122.5950	1.041	7	122.5950	1.083	7	122.6645	4.049	65	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CCHH)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]C)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CCHH)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	122.6605	1.114	8	122.6605	1.242	8	122.6645	4.049	65	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CCHH)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CCHH)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	120.7389	0.560	9	120.7389	0.314	9	122.6645	4.049	65	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CC[5a]HH)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]C)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CC[5a]HH)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]C){1|C<3>,1|C<4>}	126.0397	0.936	4	126.0397	0.876	4	122.6645	4.049	65	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CF3)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]C)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CF3)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	124.2138	1.122	12	124.2138	1.260	12	122.6645	4.049	65	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CF3)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CF3)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	123.7335	4.347	4	123.7335	18.900	4	122.6645	4.049	65	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CF3)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5a]C)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CF3)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	125.5270	0.000	1	125.5270	0.000	1	122.6645	4.049	65	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CH3)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]C)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CH3)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	122.1339	0.558	8	122.1339	0.312	8	122.6645	4.049	65	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(CH3)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C)	C(C[5a]C[5a]N[5a])2(CH3)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C){1|C<3>,1|H<1>}	123.0040	0.000	1	123.0040	0.000	1	122.6645	4.049	65	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[3]-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[3]C[3]2H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]C[3])	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]C[3])	C(C[5a]C[5a]N[5a])2(C[3]C[3]2H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]C[3]){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]C[3]){1|C<3>,1|H<1>}	121.6418	0.921	10	121.6418	0.848	10	122.7540	3.835	20	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[3]-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[3]C[3]2H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[3])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[3])	C(C[5a]C[5a]N[5a])2(C[3]C[3]2H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[3]){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[3]){1|C<3>,1|H<1>}	120.2115	0.542	2	120.2115	0.294	2	122.7540	3.835	20	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[3]-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[3]C[3]2H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]C[3])	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]C[3])	C(C[5a]C[5a]N[5a])2(C[3]C[3]2H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]C[3]){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]C[3]){1|C<3>,1|H<1>}	124.7799	0.987	8	124.7799	0.973	8	122.7540	3.835	20	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Co)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[5])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[5])	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Co)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[5]){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[5]){1|C<3>,1|H<1>}	120.0590	0.000	1	120.0590	0.000	1	122.7880	2.213	16	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Co)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]C[5])	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]C[5])	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Co)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]C[5]){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]C[5]){1|C<3>,1|H<1>}	122.2837	0.608	3	122.2837	0.369	3	122.7880	2.213	16	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]C[5])	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]C[5])	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]C[5]){2|H<1>}	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]C[5]){2|H<1>}	122.5200	0.000	1	122.5200	0.000	1	122.7880	2.213	16	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[5])	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[5])	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[5]){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[5]){1|C<3>,1|H<1>}	123.1170	0.000	1	123.8688	0.298	4	122.7880	2.213	16	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[5])	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[5])	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[5]){2|H<1>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[5]){2|H<1>}	124.1193	0.264	3	123.8688	0.298	4	122.7880	2.213	16	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[5])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[5])	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[5]){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[5]){1|C<3>,1|H<1>}	119.4510	0.000	1	122.1740	3.825	4	122.7880	2.213	16	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[5])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[5])	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[5]){2|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[5]){2|H<1>}	123.0817	0.892	3	122.1740	3.825	4	122.7880	2.213	16	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]C[5])	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]C[5])	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]C[5]){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]C[5]){1|C<3>,1|H<1>}	122.4340	0.000	1	123.6690	1.647	3	122.7880	2.213	16	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]C[5])	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]C[5])	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]C[5]){2|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]C[5]){2|H<1>}	124.2865	1.003	2	123.6690	1.647	3	122.7880	2.213	16	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:P-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(PO3)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]P)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]P)	C(C[5a]C[5a]N[5a])2(PO3)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]P){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]P){1|C<3>,1|H<1>}	122.8820	0.000	1	122.8820	0.000	1	123.6896	0.207	5	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:P-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(PO3)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]P)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]P)	C(C[5a]C[5a]N[5a])2(PO3)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]P){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]P){1|C<3>,1|H<1>}	123.9000	0.074	3	123.9000	0.005	3	123.6896	0.207	5	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:P-4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(PO3)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[5a]P)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[5a]P)	C(C[5a]C[5a]N[5a])2(PO3)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[5a]P){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[5a]P){1|C<3>,1|H<1>}	123.8660	0.000	1	123.8660	0.000	1	123.6896	0.207	5	122.6586	4.349	108	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	4:3:3:	3:3:3:	3:3:3:	C[3,6]-4:C[5a]-3:C[5a]-3:	C-3:N[5a]-3:C[5a]-3:	C-3:N[5a]-3:C[5a]-3:	C(C[3,6]C[3,4,6]O[3,4]C[6])(C[5a]C[5a]N[5a])2	C[5a](CC[3,6]C[5a])(N[5a]C[5a]Mn)(C[5a]C[5a]H)	C[5a](CC[3,6]C[5a])(N[5a]C[5a]Mn)(C[5a]C[5a]H)	C(C[3,6]C[3,4,6]O[3,4]C[6])(C[5a]C[5a]N[5a])2	C[5a](CC[3,6]C[5a])(N[5a]C[5a]Mn)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[3,6]C[5a])(N[5a]C[5a]Mn)(C[5a]C[5a]H){1|C<3>,1|H<1>}	123.9150	0.000	1	123.9150	0.000	1	123.9150	0.000	1	124.7055	1.250	2	124.7810	6.758	3047	124.7810	6.758	3047
930	727	727	0:SP2_SP2_SP2	C	C[5a]	C[5a]	4:3:3:	3:3:3:	3:3:3:	C[4,3x6]-4:C[5a]-3:C[5a]-3:	C-3:N[5a]-3:C[5a]-3:	C-3:N[5a]-3:C[5a]-3:	C(C[4,3x6]C[4,4,6,6]C[3x6]C[4,6])(C[5a]C[5a]N[5a])2	C[5a](CC[4,3x6]C[5a])(N[5a]C[5a]Ru)(C[5a]C[5a]H)	C[5a](CC[4,3x6]C[5a])(N[5a]C[5a]Ru)(C[5a]C[5a]H)	C(C[4,3x6]C[4,4,6,6]C[3x6]C[4,6])(C[5a]C[5a]N[5a])2	C[5a](CC[4,3x6]C[5a])(N[5a]C[5a]Ru)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[4,3x6]C[5a])(N[5a]C[5a]Ru)(C[5a]C[5a]H){1|C<3>,1|H<1>}	125.4960	0.000	1	125.4960	0.000	1	125.4960	0.000	1	124.7055	1.250	2	124.7810	6.758	3047	124.7810	6.758	3047
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6,6]	3:3:1:	3:2:3:	3:3:3:	C[6,6]-3:C[5a]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[6,6]-3:N[3x6]-3:C-3:	C(C[6,6]C[6,6]N[3x6])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6,6]H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H)	C(C[6,6]C[6,6]N[3x6])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6,6]H){2|H<1>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	127.2960	0.000	1	127.2960	0.000	1	127.2960	0.000	1	127.2960	0.000	1	128.1372	1.307	16	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6,6]	3:3:1:	3:2:3:	4:3:3:	C[6,6]-3:C[5a]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[6,6]-4:N[3x6]-3:C-3:	C(C[6,6]C[6,6]N[3x6])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6,6]H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H)	C(C[6,6]C[6,6]N[3x6])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6,6]H){2|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	126.8967	0.510	4	126.8967	0.260	4	126.8967	0.260	4	126.8967	0.260	4	128.1372	1.307	16	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6,6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[6,6]-3:N[3x6]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H)	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H){1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	128.3060	0.000	1	128.0770	0.105	2	128.8991	0.318	10	128.8991	0.318	10	128.1372	1.307	16	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6,6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[6,6]-3:N[3x6]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H)	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H){1|H<1>,1|S<4>,2|C<3>}	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	127.8480	0.000	1	128.0770	0.105	2	128.8991	0.318	10	128.8991	0.318	10	128.1372	1.307	16	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6,6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[6,6]-3:N[3x6]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H){1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	129.2230	0.441	4	129.0787	0.172	7	128.8991	0.318	10	128.8991	0.318	10	128.1372	1.307	16	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6,6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[6,6]-3:N[3x6]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H){1|H<1>,1|S<4>,2|C<3>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	128.5540	0.000	1	129.0787	0.172	7	128.8991	0.318	10	128.8991	0.318	10	128.1372	1.307	16	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6,6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[6,6]-3:N[3x6]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H){2|C<3>,2|H<1>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	129.0525	0.299	2	129.0787	0.172	7	128.8991	0.318	10	128.8991	0.318	10	128.1372	1.307	16	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6,6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[6,6]-3:N[3x6]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CC[6,6]H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CC[6,6]H){1|H<1>,2|C<3>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	129.2860	0.000	1	129.2860	0.000	1	128.8991	0.318	10	128.8991	0.318	10	128.1372	1.307	16	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6,6]	3:3:1:	3:3:3:	4:3:3:	C[5a]-3:C[6,6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[6,6]-4:N[3x6]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H){1|H<1>,1|S<4>,2|C<3>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	126.3210	0.000	1	126.3210	0.000	1	126.3210	0.000	1	126.3210	0.000	1	128.1372	1.307	16	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	C[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H)	C[6](C[6]N[6]O)2(CC[5a]H)	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H){2|H<1>}	C[6](C[6]N[6]O)2(CC[5a]H){1|C<3>,2|C<4>}	134.0380	0.000	1	134.0380	0.000	1	134.2712	0.161	6	135.1354	1.509	10	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	C[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H)	C[6](C[6]O[6]O)2(CC[5a]H)	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H){1|C<4>,1|H<1>}	C[6](C[6]O[6]O)2(CC[5a]H){1|C<4>}	134.2152	0.419	4	134.3178	0.185	5	134.2712	0.161	6	135.1354	1.509	10	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	C[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H)	C[6](C[6]O[6]O)2(CC[5a]H)	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H){2|H<1>}	C[6](C[6]O[6]O)2(CC[5a]H){1|C<4>}	134.7280	0.000	1	134.3178	0.185	5	134.2712	0.161	6	135.1354	1.509	10	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H)	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H){1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H){1|C<2>,1|C<3>,1|C<4>}	137.2650	0.000	1	137.0110	0.129	2	136.4317	0.525	4	135.1354	1.509	10	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H)	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H){1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H){1|C<2>,1|C<3>,1|H<1>}	136.7570	0.000	1	137.0110	0.129	2	136.4317	0.525	4	135.1354	1.509	10	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H)	C[6](C[6]N[6]O)2(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H){1|C<2>,1|H<1>}	C[6](C[6]N[6]O)2(CC[5a]H){1|C<3>,2|C<4>}	136.0800	0.000	1	135.8525	0.104	2	136.4317	0.525	4	135.1354	1.509	10	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H)	C[6](C[6]N[6]O)2(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H){1|C<3>,1|H<1>}	C[6](C[6]N[6]O)2(CC[5a]H){1|C<3>,2|C<4>}	135.6250	0.000	1	135.8525	0.104	2	136.4317	0.525	4	135.1354	1.509	10	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	3:4:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a,6]-3:C[6]-4:C-3:	C(C[5a]C[5a]N[5a])(C[6]C[5a,6]C[6])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[6]C[5a,6]C[6])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]H){1|H<1>,1|S<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CC[5a]H){2|C<4>,3|C<3>}	128.7130	0.000	1	128.7130	0.000	1	128.7130	0.000	1	130.4158	6.648	12	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	3:4:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a,6]-3:C[6]-4:C-3:	C(C[5a]C[5a]N[5a])(C[6]N[5a,6]C[6])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[6]N[5a,6]C[6])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]H){1|H<1>,1|S<4>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CC[5a]H){2|H<1>,3|C<3>}	134.6540	0.000	1	134.6540	0.000	1	135.1965	0.589	2	130.4158	6.648	12	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	3:4:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a,6]-3:C[6]-4:C-3:	C(C[5a]C[5a]N[5a])(C[6]N[5a,6]C[6])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[6]N[5a,6]C[6])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]H){1|H<1>,1|S<4>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(CC[5a]H){1|H<1>,3|C<3>}	135.7390	0.000	1	135.7390	0.000	1	135.1965	0.589	2	130.4158	6.648	12	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	3:4:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	C[6,6]-3:C[6]-4:C-3:	C(C[5a]C[5a]O[5a])(C[6]C[6,6]C[6])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[5a]H)	C(C[5a]C[5a]O[5a])(C[6]C[6,6]C[6])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H){2|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[5a]H){1|C<4>,2|C<3>,2|H<1>}	129.8630	0.000	1	129.8630	0.000	1	129.8630	0.000	1	130.4158	6.648	12	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	3:4:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	C[6]-3:C[6]-4:C-3:	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[5a]H)	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H){2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[5a]H){1|C<3>,1|N<3>,2|H<1>}	128.4692	0.819	5	128.4692	0.672	5	128.4692	0.672	5	130.4158	6.648	12	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	3:4:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6,6a]C[6])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[6]C[6,6a]C[6])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H){2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[5a]H){2|C<3>,2|C<4>}	131.2920	0.000	2	131.2920	0.000	2	131.2920	0.000	2	130.4158	6.648	12	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	3:4:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[6]-3:C[6]-4:C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H){2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[5a]H){2|C<3>,2|H<1>}	131.0900	0.000	1	131.0900	0.000	1	131.0900	0.000	1	130.4158	6.648	12	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	4:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	C[6]-4:C[6]-3:C-3:	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5a]H)	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H){2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5a]H){1|C<4>,2|H<1>,2|O<2>}	126.5860	0.000	1	126.5860	0.000	1	127.4948	3.449	5	129.2381	10.698	19	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	4:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	C[6]-4:C[6]-3:C-3:	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H){2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	127.7220	2.063	4	127.7220	4.254	4	127.4948	3.449	5	129.2381	10.698	19	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	4:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[6]-4:C[6]-3:C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[6]H){2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,2|C<4>}	133.0650	0.078	2	133.0650	0.006	2	131.1172	1.550	12	129.2381	10.698	19	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	4:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[6]-4:C[6]-3:C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CC[6]H){1|Br<1>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|O<2>}	129.6545	0.419	2	129.6545	0.176	2	131.1172	1.550	12	129.2381	10.698	19	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	4:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[6]-4:C[6]-3:C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H){2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5a]H){1|C<4>,2|H<1>,2|O<2>}	130.1410	0.000	1	130.1410	0.000	1	131.1172	1.550	12	129.2381	10.698	19	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	4:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[6]-4:C[6]-3:C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H){2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CC[5a]H){1|H<1>,1|S<2>,3|C<3>}	131.2300	0.000	1	131.2300	0.000	1	131.1172	1.550	12	129.2381	10.698	19	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	4:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[6]-4:C[6]-3:C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	131.7120	0.619	2	131.7120	0.384	2	131.1172	1.550	12	129.2381	10.698	19	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	4:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[6]-4:C[6]-3:C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H){1|Br<1>,1|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,2|C<4>}	130.7933	0.917	4	130.7933	0.841	4	131.1172	1.550	12	129.2381	10.698	19	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	4:3:3:	C[5a]-3:C[6]-3:O-1:	C[5a]-3:O[5a]-2:C-3:	C[6]-4:C[5,6]-3:C-3:	C(C[5a]C[5a]O[5a])(C[6]C[5,6]C[6])(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[5a]O)	C(C[5a]C[5a]O[5a])(C[6]C[5,6]C[6])(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]O){2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[5a]O){2|C<4>,4|C<3>}	124.3800	0.000	1	124.3800	0.000	1	124.3800	0.000	1	129.2381	10.698	19	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:2:3:	4:3:3:	C[5a]-3:C[6]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[6]-4:C[6]-3:C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]O)	C[6](C[6]C[5a]C[6]H)(C[6]S[6]S)(CC[5a]O)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]O){2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]S[6]S)(CC[5a]O){1|C<2>,1|S<2>,2|C<3>}	120.2630	0.000	1	120.2630	0.000	1	120.2630	0.000	1	129.2381	10.698	19	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H)	C[6](C[6]O[6]O)2(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H){2|C<3>,2|H<1>}	C[6](C[6]O[6]O)2(CC[5a]H){1|C<4>}	135.0280	0.000	1	135.0280	0.000	1	135.0280	0.000	1	125.9325	41.467	13	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]H){2|C<3>,2|H<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]H){1|O<1>,2|C<4>}	123.7780	0.000	1	123.7780	0.000	1	123.7780	0.000	1	125.9325	41.467	13	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]H){1|C<4>,1|O<2>,2|C<3>}	132.4810	0.000	1	132.4810	0.000	1	133.8625	3.817	2	125.9325	41.467	13	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]H)	C[6](C[6]N[6]O)2(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]H){1|C<3>,1|C<4>}	C[6](C[6]N[6]O)2(CC[5a]H){1|C<3>,2|C<4>}	135.2440	0.000	1	135.2440	0.000	1	133.8625	3.817	2	125.9325	41.467	13	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]O)(CC[6]H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]O)(CC[6]H){1|C<3>,1|S<2>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5a]H){1|C<3>,2|H<1>}	128.6792	2.504	4	128.6792	6.269	4	128.6792	6.269	4	125.9325	41.467	13	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6]C[5a,6]2)(O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]O)	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O)	C(C[5a]C[5a]N[5a])(C[6]C[5a,6]2)(O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]O){1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O){1|B<4>,2|C<4>,4|C<3>}	120.1720	0.000	1	118.9523	1.474	3	118.9523	1.474	3	125.9325	41.467	13	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6]C[5a,6]2)(O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]O)	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O)	C(C[5a]C[5a]N[5a])(C[6]C[5a,6]2)(O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]O){2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O){1|B<4>,2|C<4>,4|C<3>}	118.3425	0.846	2	118.9523	1.474	3	118.9523	1.474	3	125.9325	41.467	13	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:O-1:	N[5a]-3:C[5a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(O)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6]O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[5a]O)	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(O)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6]O){2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[5a]O){1|C<3>,2|H<1>}	119.5620	0.000	1	119.5620	0.000	1	119.5085	0.006	2	125.9325	41.467	13	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:O-1:	N[5a]-3:C[5a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(O)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[6]O)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[5a]O)	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(O)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[6]O){2|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[5a]O){1|C<3>,2|H<1>}	119.4550	0.000	1	119.4550	0.000	1	119.5085	0.006	2	125.9325	41.467	13	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6]H){2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[5a]H){2|C<3>,2|H<1>}	128.8320	0.000	1	128.8320	0.000	1	128.8320	0.000	1	124.7135	33.924	2	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5,6]-3:C[6]-4:C-3:	C(C[6]C[5,6]C[6])(C[5a]C[5a]2)(O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[6]O)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(CC[5a]O)	C(C[6]C[5,6]C[6])(C[5a]C[5a]2)(O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[6]O){1|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(CC[5a]O){2|H<1>,3|C<3>}	120.5950	0.000	1	120.5950	0.000	1	120.5950	0.000	1	124.7135	33.924	2	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[6]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[6,6]-4:N[6]-2:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6]N[6])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])(CC[5a]O)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6]N[6])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]O){2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])(CC[5a]O){1|C<3>,2|H<1>,4|C<4>}	121.6340	0.000	1	121.6340	0.000	1	121.6340	0.000	1	121.6340	0.000	1	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5,6,6]-4:C[6]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6,6]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6,6]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H){1|H<1>,1|S<4>,2|C<3>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CC[5a]H){1|O<2>,5|C<4>,5|H<1>}	129.0780	0.000	1	129.0780	0.000	1	129.0780	0.000	1	129.8984	2.119	7	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[5a]H){1|C<4>,2|H<1>}	128.0000	0.000	1	128.0000	0.000	1	129.5770	4.974	2	129.8984	2.119	7	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<4>,4|H<1>}	131.1540	0.000	1	131.1540	0.000	1	129.5770	4.974	2	129.8984	2.119	7	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[5a]-3:C[6]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6]H){2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	130.2643	1.452	4	130.2643	2.109	4	130.2643	2.109	4	129.8984	2.119	7	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[5a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H){1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5a]H){1|C<3>,1|C<4>,3|H<1>}	128.1410	0.808	2	128.1410	0.652	2	128.1410	0.652	2	128.1410	0.652	2	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:C-2:	C[5a,6a]-3:N[5a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(CC[6]C)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5a]C)	C(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(CC[6]C){1|H<1>,3|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5a]C){1|C<3>,2|H<1>}	128.3765	0.958	2	128.3765	0.918	2	127.9850	0.516	4	127.9850	0.516	4	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:C-2:	C[5a,6a]-3:N[5a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(CC[6]C)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[5a]C)	C(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(CC[6]C){1|H<1>,3|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[5a]C){1|C<3>,2|H<1>}	127.5935	0.132	2	127.5935	0.017	2	127.9850	0.516	4	127.9850	0.516	4	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:2:3:	2:2:3:	C[5a]-3:C[6]-3:N-3:	C[5a]-3:S[5a]-2:C-3:	O[6]-2:N[6]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6]N[6]O[6])(NCS)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]N)	C[6](O[6]C[6,6a])(N[6]C[6])(CC[5a]N)	C(C[5a]C[5a]S[5a])(C[6]N[6]O[6])(NCS)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]N){2|H<1>}	C[6](O[6]C[6,6a])(N[6]C[6])(CC[5a]N){3|C<3>}	125.0550	0.000	1	125.0550	0.000	1	125.0550	0.000	1	125.0550	0.000	1	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:2:	C[5a]-3:C[5]-3:C[6]-3:	C[5a]-3:O[5a]-2:C-3:	C-3:C[6]-3:C[6]-2:	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]C[6])	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6])	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]C[6]){1|C<3>,1|H<1>}	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	115.8390	0.000	1	115.8390	0.000	1	115.8390	0.000	1	115.8390	0.000	1	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:C[6]-3:N-3:	C[5a]-3:S[5a]-2:C-3:	C[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(NC[6a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[6]N)	C[6](C[6]C[6]O)2(CC[5a]N)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(NC[6a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[6]N){2|H<1>}	C[6](C[6]C[6]O)2(CC[5a]N){1|C<4>,4|H<1>}	121.9820	0.000	1	121.9820	0.000	1	121.9820	0.000	1	121.9820	0.000	1	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[6a]-3:C[6]-3:	C[5a]-3:C-3:O[5a]-2:	C-3:C[6]-3:C[6]-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(CC[6a]C[6])(O[5a]C[5a])	C[6](CC[5a]C[6a])(C[6]O[6]O)2	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(CC[6a]C[6])(O[5a]C[5a]){1|C<3>,1|C<4>}	C[6](CC[5a]C[6a])(C[6]O[6]O)2{1|C<4>}	123.0970	0.000	1	123.0970	0.000	1	123.0970	0.000	1	123.0970	0.000	1	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[5a]-3:C-3:	C[6]-3:C[6]-2:C-3:	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(CC[5a]2)	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]C[6]){4|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(CC[5a]2){1|C<3>,2|H<1>}	119.2980	1.206	2	119.2980	1.455	2	119.2980	1.455	2	117.1127	5.074	6	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:C-3:	C[6]-3:C[6]-2:C-3:	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[6])	C[6](C[6]C[6]O)(C[6]C[6])(CC[5a]2)	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[6]){2|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(CC[5a]2){1|C<2>}	116.0200	1.788	4	116.0200	3.195	4	116.0200	3.195	4	117.1127	5.074	6	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[6]-3:C[6]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C[6])	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C[6]){1|C<3>,1|H<1>}	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	116.8260	0.000	1	116.8260	0.000	1	116.8260	0.000	1	117.7540	1.722	2	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[6]-3:C-3:O[6]-2:	C(C[5a]C[5a]N[5a])(C[6]N[6]O[6])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[6])	C[6](N[6]C[6,6a]Ni)(CC[5a]C[6a])(O[6]C[6])	C(C[5a]C[5a]N[5a])(C[6]N[6]O[6])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[6]){1|C<3>,1|H<1>}	C[6](N[6]C[6,6a]Ni)(CC[5a]C[6a])(O[6]C[6]){1|O<1>,2|C<3>}	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	117.7540	1.722	2	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[6]-3:C[6]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C[6])	C[6](CC[5a]C[5])(C[6]C[6]H)2	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C[6]){1|C<3>,1|H<1>}	C[6](CC[5a]C[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	116.8520	0.000	1	118.6520	7.443	7	118.6520	7.443	7	118.7856	5.965	43	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[6]-3:C[6]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C[6])	C[6](CC[5a]C[5])(C[6]C[6]H)2	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C[6]){1|C<3>,1|H<1>}	C[6](CC[5a]C[5])(C[6]C[6]H)2{1|C<3>,2|C<4>}	122.6120	0.197	2	118.6520	7.443	7	118.6520	7.443	7	118.7856	5.965	43	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[6]-3:C[6]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C[6])	C[6](CC[5a]C[5])(C[6]C[6]H)2	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C[6]){1|C<3>,1|H<1>}	C[6](CC[5a]C[5])(C[6]C[6]H)2{1|N<3>,2|H<1>}	117.1220	0.465	4	118.6520	7.443	7	118.6520	7.443	7	118.7856	5.965	43	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a,6a]-3:C[5a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6])	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5a]2)	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6]){2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5a]2){1|C<3>,2|H<1>}	118.5280	1.806	2	118.5280	3.261	2	118.2145	1.931	4	118.7856	5.965	43	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a,6a]-3:C[5a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6])	C[6](C[6]C[6]H)2(CC[5a]2)	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6]){2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[5a]2){1|N<3>,2|H<1>}	117.9010	1.462	2	117.9010	2.138	2	118.2145	1.931	4	118.7856	5.965	43	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a,6a]-3:C[5a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]N[6])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5a]2)	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]N[6])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6]){2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5a]2){1|C<3>,2|H<1>}	118.0340	2.705	2	118.0340	7.319	2	118.0340	7.319	2	118.7856	5.965	43	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:C-3:	C[6,6a]-3:C[6]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6]C[6,6a]C[6])	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[5a]2)	C(C[5a]C[5a]N[5a])2(C[6]C[6,6a]C[6])	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[6]){2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[5a]2){1|N<3>,2|C<3>,2|H<1>}	117.2587	0.925	6	117.2587	0.856	6	117.2587	0.856	6	118.7856	5.965	43	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[6])	C[6](C[6]C[6]H)2(CC[5a]2)	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC[5a]2){1|N<3>,2|H<1>}	118.1845	0.981	4	118.1845	0.962	4	117.7710	0.805	14	118.7856	5.965	43	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[6])	C[6](C[6]C[6]H)2(CC[5a]2)	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC[5a]2){1|N<3>,2|H<1>}	118.4540	0.208	4	118.4540	0.043	4	117.7710	0.805	14	118.7856	5.965	43	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[5a]C[6])	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5a]2)	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5a]2){1|C<2>,2|H<1>}	117.1685	0.705	2	117.1685	0.497	2	117.7710	0.805	14	118.7856	5.965	43	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]C[6])	C[6](C[6]C[6]H)2(CC[5a]2)	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC[5a]2){1|N<3>,2|H<1>}	116.9758	0.618	4	116.9758	0.382	4	117.7710	0.805	14	118.7856	5.965	43	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a]-3:C[5a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6]C[6]N[6])	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]C[6])	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[5a]2)	C(C[5a]C[5a]N[5a])2(C[6]C[6]N[6])	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[5a]2){1|C<3>,2|H<1>}	120.7510	2.712	2	120.7510	7.357	2	120.7510	7.357	2	118.7856	5.965	43	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(CCC)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[6]C)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC[5a]C)	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(CCC)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[6]C){1|C<3>,1|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC[5a]C){1|H<1>,2|C<3>}	118.2940	0.083	2	118.2940	0.007	2	118.2940	0.007	2	118.7856	5.965	43	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:N[6]-3:C[6]-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[6])	C[6](CC[5a]C[6a])(N[6]C[6]Ni)(C[6]C[6]H)	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[6]){1|C<3>,1|H<1>}	C[6](CC[5a]C[6a])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<3>}	122.1755	1.404	2	122.1755	1.970	2	123.9443	4.861	4	118.7856	5.965	43	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:N[6]-3:C[6]-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[6])	C[6](CC[5a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[6]){1|C<3>,1|H<1>}	C[6](CC[5a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,2|C<3>}	125.7130	0.315	2	125.7130	0.099	2	123.9443	4.861	4	118.7856	5.965	43	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:N-3:	C[5a]-3:N[5a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(NCH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6]N)	C[6](C[6]C[6]O)2(CC[5a]N)	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(NCH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6]N){2|H<1>}	C[6](C[6]C[6]O)2(CC[5a]N){1|C<4>,4|H<1>}	121.0390	0.535	2	121.0390	0.286	2	121.0390	0.286	2	118.7856	5.965	43	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[6]-3:C-3:C[6]-4:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[6])	C[6](N[6]C[5,6]Ni)(CC[5a]C[6a])(C[6]O[6]CH)	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[6]){1|C<3>,1|H<1>}	C[6](N[6]C[5,6]Ni)(CC[5a]C[6a])(C[6]O[6]CH){1|C<3>,1|C<4>}	120.0420	2.196	2	120.0420	4.824	2	120.0420	4.824	2	120.0420	4.824	2	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[6]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[6]-4:N[6]-2:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[6])	C[6](CC[5a]C[6a])(C[6]O[6]HH)(N[6]C[6])	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[6]){1|C<3>,1|H<1>}	C[6](CC[5a]C[6a])(C[6]O[6]HH)(N[6]C[6]){1|C<3>,1|C<4>}	129.6520	0.460	2	129.6520	0.211	2	128.9176	0.794	5	128.9176	0.794	5	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[6]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[6]-4:N[6]-2:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[6])	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[5,6])	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[6]){1|C<3>,1|H<1>}	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[5,6]){1|C<3>,1|C<4>}	127.9500	0.000	1	127.9500	0.000	1	128.9176	0.794	5	128.9176	0.794	5	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[6]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[6]-4:N[6]-2:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[6])	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[6])	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[6]){1|C<3>,1|H<1>}	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[6]){1|C<3>,1|C<4>}	128.6670	0.908	2	128.6670	0.824	2	128.9176	0.794	5	128.9176	0.794	5	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[6]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:C[6]-4:N[6]-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[6])	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[6]Ni)	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[6]){1|C<3>,1|H<1>}	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[6]Ni){1|C<3>,1|C<4>}	120.3385	0.465	4	120.3385	0.216	4	120.3385	0.216	4	120.4946	0.284	5	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	N[6]-3:C[6]-4:C-3:	C(C[6]C[6]N[6])(C[5a]C[5a]2)(COO)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(CC[6]C)	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(CC[5a]C)	C(C[6]C[6]N[6])(C[5a]C[5a]2)(COO)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(CC[6]C){1|C<4>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(CC[5a]C){2|C<3>}	121.1190	0.000	1	121.1190	0.000	1	121.1190	0.000	1	120.4946	0.284	5	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:4:	C[5a]-3:C[6a]-3:C[6]-3:	C[5a]-3:C[5a]-3:C-3:	C-3:C[6]-4:C[6]-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]C[6])	C[6](CC[5a]C[6a])(C[6]C[6]HH)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]C[6]){1|H<1>}	C[6](CC[5a]C[6a])(C[6]C[6]HH)2{1|N<4>,4|H<1>}	123.8360	0.482	2	123.8360	0.233	2	123.8360	0.233	2	123.8360	0.233	2	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[5a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C[6])	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[5a]2)	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[5a]2){1|C<3>,2|H<1>}	118.2855	0.571	2	118.2855	0.326	2	118.2855	0.326	2	120.6052	7.413	4	124.5226	39.520	143	124.8864	36.832	159
930	727	762	0:SP2_SP2_SP2	C	C[5a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6]-3:	N[5a]-3:C[5a]-3:C-3:	C[6]-4:C-3:C[6]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6]C[6]2)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[6a]C[6])	C[6](C[6]C[6]FeH)(CC[5a]C[6a])(C[6]C[6]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6]C[6]2)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[6a]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]FeH)(CC[5a]C[6a])(C[6]C[6]H){1|H<1>,2|C<3>}	122.9250	0.622	2	122.9250	0.387	2	122.9250	0.387	2	120.6052	7.413	4	124.5226	39.520	143	124.8864	36.832	159
930	727	769	0:SP2_SP2_SP2	C	C[5a]	C[4a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[4a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[4a]-3:C[4a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])(C[4a]C[4a]2)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]C)(CC[4a]H)	C[4a](C[4a]C[4a]O)2(CC[5a]H)	C(C[5a]C[5a,6a]N[5a])(C[4a]C[4a]2)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]C)(CC[4a]H){1|H<1>,3|C<3>}	C[4a](C[4a]C[4a]O)2(CC[5a]H){1|C<3>}	135.6480	0.000	1	135.6480	0.000	1	135.6480	0.000	1	135.6480	0.000	1	135.6480	0.000	1	135.6480	0.000	1
930	727	790	0:SP2_SP-NON_SP2	C	C[5a]	Cl	3:2:1:	3:2:3:	3:	C[5a]-3:N-2:Cl-1:	C[5a,5a]-3:S[5a]-2:C-3:	C-3:	C(C[5a]C[5a,5a]S[5a])(NS)(Cl)	C[5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]N[5a])(CClN)	Cl(CC[5a]N)	C(C[5a]C[5a,5a]S[5a])(NS)(Cl)	C[5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]N[5a])(CClN){1|C<4>,1|N<2>,1|N<3>}	Cl(CC[5a]N)	116.0727	0.626	3	116.0727	0.392	3	116.0727	0.392	3	116.8382	1.526	5	116.3977	2.231	9	116.3977	2.231	9
930	727	790	0:SP2_SP-NON_SP2	C	C[5a]	Cl	3:2:1:	3:2:3:	3:	C[5a]-3:N-2:Cl-1:	C[5a]-3:N[5a]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(NO)(Cl)	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(CClN)	Cl(CC[5a]N)	C(C[5a]C[5a]N[5a])(NO)(Cl)	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(CClN)	Cl(CC[5a]N)	117.9865	0.961	2	117.9865	0.923	2	117.9865	0.923	2	116.8382	1.526	5	116.3977	2.231	9	116.3977	2.231	9
930	727	790	0:SP2_SP-NON_SP2	C	C[5a]	Cl	3:3:1:	2:2:3:	3:	C[5a]-3:C-3:Cl-1:	N[5a]-2:O[5a]-2:C-3:	C-3:	C(C[5a]N[5a]O[5a])(CC[5a]N[5])(Cl)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClC)	Cl(CC[5a]C)	C(C[5a]N[5a]O[5a])(CC[5a]N[5])(Cl)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClC){2|C<3>}	Cl(CC[5a]C)	115.1650	0.000	1	115.1650	0.000	1	115.1650	0.000	1	115.1650	0.000	1	116.3977	2.231	9	116.3977	2.231	9
930	727	790	0:SP2_SP-NON_SP2	C	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(CCH)(Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CClC)	Cl(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CCH)(Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CClC){1|H<1>,1|S<4>,2|C<3>}	Cl(CC[5a]C)	113.6570	0.000	1	113.6570	0.000	1	113.6570	0.000	1	116.0743	4.471	3	116.3977	2.231	9	116.3977	2.231	9
930	727	790	0:SP2_SP-NON_SP2	C	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	N[5a]-3:C[5a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])2(Cl)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]Cl)	Cl(CC[5a]2)	C(C[5a]C[5a]N[5a])2(Cl)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]Cl){1|C<3>,1|H<1>}	Cl(CC[5a]2)	117.2830	0.420	2	117.2830	0.176	2	117.2830	0.176	2	116.0743	4.471	3	116.3977	2.231	9	116.3977	2.231	9
930	727	813	0:SP2_SP2_SP2	C	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a]N[5a])(O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a]N[5a])(O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN[5a]O){1|C<2>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){1|C<4>,1|H<1>}	120.1430	0.000	1	120.0263	0.137	3	120.0263	0.137	3	119.3015	3.252	14	120.7144	11.928	28	120.7144	11.928	28
930	727	813	0:SP2_SP2_SP2	C	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a]N[5a])(O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a]N[5a])(O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN[5a]O){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){1|C<4>,1|H<1>}	119.9680	0.503	2	120.0263	0.137	3	120.0263	0.137	3	119.3015	3.252	14	120.7144	11.928	28	120.7144	11.928	28
930	727	813	0:SP2_SP2_SP2	C	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CN[5a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CN[5a]O){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]O){2|H<1>}	118.8525	0.377	2	118.8525	0.142	2	119.4835	0.882	4	119.3015	3.252	14	120.7144	11.928	28	120.7144	11.928	28
930	727	813	0:SP2_SP2_SP2	C	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5a]O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){1|C<4>,1|H<1>}	120.1145	0.955	2	120.1145	0.913	2	119.4835	0.882	4	119.3015	3.252	14	120.7144	11.928	28	120.7144	11.928	28
930	727	813	0:SP2_SP2_SP2	C	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:N[5a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]N[5a,6a]C[5a])(N[5a]C[5a]N[5a])(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CN[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	C(C[5a]N[5a,6a]C[5a])(N[5a]C[5a]N[5a])(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CN[5a]O){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){1|C<4>,1|H<1>}	115.9760	0.262	2	115.9760	0.068	2	115.9760	0.068	2	119.3015	3.252	14	120.7144	11.928	28	120.7144	11.928	28
930	727	813	0:SP2_SP2_SP2	C	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN[5a]O)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O)	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN[5a]O){1|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O){1|C<2>,1|H<1>}	119.3240	0.000	1	119.3240	0.000	1	120.4540	5.177	3	119.3015	3.252	14	120.7144	11.928	28	120.7144	11.928	28
930	727	813	0:SP2_SP2_SP2	C	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN[5a]O)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5a]O)	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN[5a]O){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5a]O){1|S<2>}	118.9650	0.000	1	118.9650	0.000	1	120.4540	5.177	3	119.3015	3.252	14	120.7144	11.928	28	120.7144	11.928	28
930	727	813	0:SP2_SP2_SP2	C	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CN[5a]O)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O)	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CN[5a]O){1|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O){1|C<3>,1|C<4>}	123.0730	0.000	1	123.0730	0.000	1	120.4540	5.177	3	119.3015	3.252	14	120.7144	11.928	28	120.7144	11.928	28
930	727	813	0:SP2_SP2_SP2	C	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:N[5a]-2:C-3:	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]O)	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CN[5a]O){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]O){1|H<1>,2|C<3>}	119.4470	1.041	2	119.4470	1.083	2	119.4470	1.083	2	119.3015	3.252	14	120.7144	11.928	28	120.7144	11.928	28
930	727	813	0:SP2_SP2_SP2	C	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CN[5a]H)	N[5a](C[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CN[5a]H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|H<1>}	122.6930	0.123	2	122.6930	0.015	2	122.6930	0.015	2	120.1307	9.944	7	120.7144	11.928	28	120.7144	11.928	28
930	727	813	0:SP2_SP2_SP2	C	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CN[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CN[5a]H){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5a]H){1|H<1>,3|C<3>}	124.6190	0.000	1	124.6190	0.000	1	124.6190	0.000	1	120.1307	9.944	7	120.7144	11.928	28	120.7144	11.928	28
930	727	813	0:SP2_SP2_SP2	C	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]O)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CN[5a]O){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]O){2|C<3>,2|H<1>}	118.2493	0.050	3	118.2493	0.003	3	117.7275	1.091	4	120.1307	9.944	7	120.7144	11.928	28	120.7144	11.928	28
930	727	813	0:SP2_SP2_SP2	C	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(O)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]O)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(O)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CN[5a]O){1|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]O){1|H<1>,2|C<3>}	116.1620	0.000	1	116.1620	0.000	1	117.7275	1.091	4	120.1307	9.944	7	120.7144	11.928	28	120.7144	11.928	28
930	727	813	0:SP2_SP2_SP2	C	C[5a]	N[5a]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	B[5a]-4:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(N[5a]B[5a]N[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN[5a]H)	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[5a]H)	C(C[5a]C[5a]N[5a])(N[5a]B[5a]N[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN[5a]H){2|H<1>}	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[5a]H){1|C<3>}	127.1397	1.332	3	127.1397	1.773	3	127.1397	1.773	3	127.1397	1.773	3	120.7144	11.928	28	120.7144	11.928	28
930	727	813	0:SP2_SP2_SP2	C	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5a]-3:N[5a]-2:	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5a]2)	N[5a](CC[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5a]2){1|C<3>,1|H<1>}	N[5a](CC[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	121.8620	4.363	4	121.8620	19.039	4	121.8620	19.039	4	121.8620	19.039	4	120.7144	11.928	28	120.7144	11.928	28
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	2:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a,6a]-3:O[5a]-2:C-3:	N[5]-2:O[5]-2:C-3:	C(C[5a]C[5a,6a]O[5a])(C[5]N[5]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[5]H)	C[5](N[5]C[5])(O[5]C[5])(CC[5a]H)	C(C[5a]C[5a,6a]O[5a])(C[5]N[5]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[5]H){1|C<4>,3|C<3>}	C[5](N[5]C[5])(O[5]C[5])(CC[5a]H){1|C<3>,3|H<1>}	126.6705	1.611	2	127.7503	2.591	4	127.7503	2.591	4	126.0369	7.462	9	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	2:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a,6a]-3:O[5a]-2:C-3:	N[5]-2:O[5]-2:C-3:	C(C[5a]C[5a,6a]O[5a])(C[5]N[5]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[5]H)	C[5](N[5]C[5])(O[5]C[5])(CC[5a]H)	C(C[5a]C[5a,6a]O[5a])(C[5]N[5]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[5]H){1|C<4>,3|C<3>}	C[5](N[5]C[5])(O[5]C[5])(CC[5a]H){1|C<4>,3|H<1>}	128.8300	0.716	2	127.7503	2.591	4	127.7503	2.591	4	126.0369	7.462	9	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	2:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a,6a]-3:S[5a]-2:C-3:	N[5]-2:O[5]-2:C-3:	C(C[5a]C[5a,6a]S[5a])(C[5]N[5]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CC[5]H)	C[5](N[5]C[5])(O[5]C[5])(CC[5a]H)	C(C[5a]C[5a,6a]S[5a])(C[5]N[5]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CC[5]H){1|H<1>,3|C<3>}	C[5](N[5]C[5])(O[5]C[5])(CC[5a]H){1|C<3>,3|H<1>}	125.5173	2.331	4	125.5173	5.435	4	125.5173	5.435	4	126.0369	7.462	9	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	2:2:3:	C[5a]-3:C[5]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5]-2:S[5]-2:C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]S[5])(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]O)	C[5](C[5]C[5])(S[5]C[5])(CC[5a]O)	C(C[5a]C[5a]S[5a])(C[5]C[5]S[5])(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]O){1|C<3>,1|H<1>}	C[5](C[5]C[5])(S[5]C[5])(CC[5a]O){2|H<1>}	121.2620	0.000	1	121.2620	0.000	1	121.2620	0.000	1	126.0369	7.462	9	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:2:3:	C[5]-3:C[5a]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5,6a]-3:O[5]-2:C-3:	C(C[5]C[5,6a]O[5])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[5a]H)	C(C[5]C[5,6a]O[5])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H){1|Br<1>,1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[5a]H){1|H<1>,1|O<1>,2|C<3>}	129.1760	0.000	1	129.1760	0.000	1	129.1760	0.000	1	127.7406	1.361	9	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:2:3:	C[5]-3:C[5a]-3:H-1:	N[5a]-3:N[5a]-2:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[5a]N[5a]2)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]H)	C(C[5]C[5]N[5])(C[5a]N[5a]2)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CC[5]H){2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	126.1120	0.000	1	126.1120	0.000	1	126.1120	0.000	1	127.7406	1.361	9	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|N<3>}	125.6390	0.000	1	125.6390	0.000	1	125.6390	0.000	1	127.7406	1.361	9	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H){2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|N<2>}	128.1570	0.208	2	128.1570	0.043	2	128.1230	0.177	6	127.7406	1.361	9	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H){2|H<1>}	C[5](C[5]O[5]O)(N[5]C[5])(CC[5a]H){1|C<3>}	127.6715	0.271	2	128.1060	0.279	4	128.1230	0.177	6	127.7406	1.361	9	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H){2|H<1>}	C[5](C[5]O[5]O)(N[5]C[5])(CC[5a]H){1|C<4>}	128.5405	0.086	2	128.1060	0.279	4	128.1230	0.177	6	127.7406	1.361	9	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5]-3:C[5a]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H){1|H<1>,3|C<3>}	130.0540	2.802	2	130.0540	7.849	2	131.2290	4.911	4	132.8143	3.548	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5]-3:C[5a]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H){2|C<3>,2|H<1>}	133.2290	0.000	1	133.2290	0.000	1	131.2290	4.911	4	132.8143	3.548	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5]-3:C[5a]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5a]H)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){1|C<4>,1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5a]H){1|H<1>,2|C<3>}	131.5790	0.000	1	131.5790	0.000	1	131.2290	4.911	4	132.8143	3.548	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5]-3:C[5a]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H){1|H<1>,3|C<3>}	130.3440	0.000	1	130.3440	0.000	1	132.2415	7.201	2	132.8143	3.548	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5]-3:C[5a]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H){2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H){2|C<3>,2|H<1>}	134.1390	0.000	1	134.1390	0.000	1	132.2415	7.201	2	132.8143	3.548	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[5a]C[5a]O[5a])(C[5]C[5,6a]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5a]H)	C(C[5a]C[5a]O[5a])(C[5]C[5,6a]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){1|C<2>,1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5a]H){2|H<1>,4|C<3>}	136.0000	0.000	1	136.0000	0.000	1	136.0000	0.000	1	132.8143	3.548	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[5a]H)	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[5a]H){1|C<4>,1|O<1>}	127.6350	0.000	1	127.6350	0.000	1	127.6350	0.000	1	132.8143	3.548	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5,6a]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[5]C[5,6a]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5a]H){2|H<1>,4|C<3>}	130.2980	0.000	1	130.2980	0.000	1	130.2980	0.000	1	132.8143	3.548	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CC[5]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	133.6678	0.332	5	133.6678	0.110	5	133.5009	0.661	18	132.8143	3.548	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[5]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[5]H){1|C<3>,1|S<2>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	133.7103	1.086	4	133.7103	1.178	4	133.5009	0.661	18	132.8143	3.548	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	134.2650	0.000	1	133.7937	0.202	3	133.5009	0.661	18	132.8143	3.548	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H){1|C<4>,1|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	133.7470	0.000	1	133.7937	0.202	3	133.5009	0.661	18	132.8143	3.548	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H){1|H<1>,1|N<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	133.3690	0.000	1	133.7937	0.202	3	133.5009	0.661	18	132.8143	3.548	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H)	C[5](C[5]C[5,6a]O)2(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5,6a]O)2(CC[5a]H){2|C<3>}	133.2533	1.262	4	133.2533	1.592	4	133.5009	0.661	18	132.8143	3.548	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H)	C[5](C[5]N[5]C)(C[5]O[5]O)(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H){2|H<1>}	C[5](C[5]N[5]C)(C[5]O[5]O)(CC[5a]H)	132.7215	0.220	2	132.7215	0.048	2	133.5009	0.661	18	132.8143	3.548	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	N[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CC[5a]H)	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H){2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CC[5a]H){1|Cl<1>,1|S<2>,2|C<3>}	132.4510	0.000	1	132.4510	0.000	1	132.4510	0.000	1	132.8143	3.548	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	4:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5]-4:C[5]-3:C-3:	C(C[5a]C[5a,6a]N[5a])(C[5]C[5]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H)	C(C[5a]C[5a,6a]N[5a])(C[5]C[5]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5]H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	128.3550	0.000	1	128.3550	0.000	1	128.3550	0.000	1	127.3155	2.431	6	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	4:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5]-4:C[5]-3:C-3:	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H)	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	126.1260	0.000	1	126.1260	0.000	1	127.7108	1.194	4	127.3155	2.431	6	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	4:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5]-4:C[5]-3:C-3:	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5a]H)	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5a]H){1|C<3>,2|H<1>}	128.3790	0.342	2	128.3790	0.117	2	127.7108	1.194	4	127.3155	2.431	6	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	4:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5]-4:C[5]-3:C-3:	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CC[5a]H)	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){2|H<1>}	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CC[5a]H){2|C<3>}	127.9590	0.000	1	127.9590	0.000	1	127.7108	1.194	4	127.3155	2.431	6	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:2:3:	4:3:3:	C[5a]-3:C[5]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5]-4:C[5]-3:C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]O)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]N)(CC[5a]O)	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]O){2|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]N)(CC[5a]O){2|C<3>,2|H<1>}	124.6950	0.000	1	124.6950	0.000	1	124.6950	0.000	1	127.3155	2.431	6	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[5a]H)	C(C[5]C[5]S[5])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[5a]H){1|N<3>}	127.6480	0.000	1	127.6480	0.000	1	127.6480	0.000	1	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a,6,6]-3:N[5a]-3:C-3:	C[5,6,6]-3:N[5]-2:C-3:	C(C[5a]C[5a,6,6]N[5a])(C[5]C[5,6,6]N[5])(H)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]H)(CC[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a,6,6]N[5a])(C[5]C[5,6,6]N[5])(H)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]H)(CC[5]H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5])(CC[5a]H){1|H<1>,2|C<3>,2|C<4>}	128.4905	0.831	4	128.4905	0.691	4	128.4905	0.691	4	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H){1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	126.7890	0.000	1	126.7890	0.000	1	126.7890	0.000	1	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5,6a]-3:N[5]-2:C-3:	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5]H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]H){1|H<1>,3|C<3>}	129.1770	2.274	3	129.1770	5.173	3	129.1770	5.173	3	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	N[5]-3:O[5]-2:C-3:	C(C[5a]C[5a,6a]N[5a])(C[5]N[5]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(CC[5]H)	C[5](N[5]C[5]Co)(O[5]C[5])(CC[5a]H)	C(C[5a]C[5a,6a]N[5a])(C[5]N[5]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(CC[5]H){1|H<1>,3|C<3>}	C[5](N[5]C[5]Co)(O[5]C[5])(CC[5a]H){1|C<4>,3|H<1>}	122.3531	1.284	18	122.3531	1.648	18	122.7548	2.097	22	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-3:	N[5]-3:O[5]-2:C-3:	C(C[5a]C[5a,6a]N[5a])(C[5]N[5]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(CC[5]H)	C[5](N[5]C[5]Fe)(O[5]C[5])(CC[5a]H)	C(C[5a]C[5a,6a]N[5a])(C[5]N[5]O[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(CC[5]H){1|H<1>,3|C<3>}	C[5](N[5]C[5]Fe)(O[5]C[5])(CC[5a]H){1|C<3>,3|H<1>}	124.5625	0.118	4	124.5625	0.014	4	122.7548	2.097	22	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]H)(CC[5]H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	125.0980	1.462	2	125.1653	1.083	3	128.1433	5.795	73	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]H)(CC[5]H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]H)(CC[5]H){2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){2|C<3>}	125.3000	0.000	1	125.1653	1.083	3	128.1433	5.795	73	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5,5]C)(N[5]C[5,5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5,5]C)(N[5]C[5,5])(CC[5a]H){2|C<3>}	125.6420	0.000	1	125.6420	0.000	1	128.1433	5.795	73	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	128.6393	2.008	23	128.6483	3.847	27	128.1433	5.795	73	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){2|C<4>}	128.2320	1.444	2	128.6483	3.847	27	128.1433	5.795	73	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|H<1>}	127.1310	0.000	1	128.6483	3.847	27	128.1433	5.795	73	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	131.2030	0.000	1	128.6483	3.847	27	128.1433	5.795	73	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H){1|C<3>,1|H<1>}	124.8010	1.816	4	125.7430	4.109	6	128.1433	5.795	73	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	127.6910	0.000	1	125.7430	4.109	6	128.1433	5.795	73	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H){1|C<3>,1|H<1>}	127.5630	0.000	1	125.7430	4.109	6	128.1433	5.795	73	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>,1|O<2>}	127.0000	0.000	1	133.0813	27.737	3	128.1433	5.795	73	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|H<1>}	136.1220	0.000	2	133.0813	27.737	3	128.1433	5.795	73	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	126.8795	0.369	4	126.8795	0.136	4	128.1433	5.795	73	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H){1|C<3>,1|H<1>}	128.1318	1.221	25	128.0247	1.731	26	128.1433	5.795	73	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H){2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H){1|C<3>,1|H<1>}	125.3460	0.000	1	128.0247	1.731	26	128.1433	5.795	73	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>,1|O<2>}	127.8560	0.000	1	127.7180	0.038	2	128.1433	5.795	73	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,2|C<4>}	127.5800	0.000	1	127.7180	0.038	2	128.1433	5.795	73	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|O<2>}	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|O<2>}	134.5240	0.000	1	134.5240	0.000	1	128.1433	5.795	73	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:Se[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]H)(Se[5]C[5])(CC[5a]H){1|C<3>,1|H<1>}	124.5980	0.000	1	124.5980	0.000	1	124.5980	0.000	1	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5]H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	129.3270	0.000	1	129.3270	0.000	1	129.3270	0.000	1	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5]-3:O[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5]H)	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5a]H){1|C<4>,3|H<1>}	121.2443	0.521	6	121.2443	0.271	6	121.2443	0.271	6	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]O)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]O)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]O){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]O){1|C<3>,1|H<1>}	123.2290	0.000	1	123.2290	0.000	1	123.2290	0.000	1	126.6869	10.746	113	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H){2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H){2|C<3>,2|H<1>}	132.1850	0.935	3	132.1850	0.874	3	132.1850	0.874	3	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[5a]H)	C(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5]H){2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[5a]H){1|H<1>,1|O<1>,2|C<3>}	130.4010	0.000	1	130.4010	0.000	1	130.4010	0.000	1	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]C)(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ir)(CC[5a]H)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ir)(CC[5a]H){1|H<1>,3|C<3>}	125.3215	0.470	2	125.3215	0.221	2	125.3880	1.017	6	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CC[5a]H)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CC[5a]H){1|H<1>,3|C<3>}	124.4550	0.000	1	124.4550	0.000	1	125.3880	1.017	6	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H){1|H<1>,3|C<3>}	127.2500	0.000	1	127.2500	0.000	1	125.3880	1.017	6	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Rh)(CC[5a]H)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Rh)(CC[5a]H){1|H<1>,3|C<3>}	124.9900	0.450	2	124.9900	0.202	2	125.3880	1.017	6	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H){2|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]H){1|C<3>}	133.4700	0.000	1	133.4700	0.000	1	133.4700	0.000	1	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]H){2|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5a]H){1|C<3>,1|O<1>}	115.2930	0.000	1	115.2930	0.000	1	124.4387	62.744	3	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[5a]H){1|H<1>,1|O<1>}	129.0115	0.152	2	129.0115	0.023	2	124.4387	62.744	3	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]2)(C[5]C[5]2)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5]H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]H)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5]H){1|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]H){1|C<3>}	135.8380	0.000	1	135.8380	0.000	1	133.4120	11.771	2	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]2)(C[5]C[5]2)(H)	C[5a](C[5a]N[5a]C)2(CC[5]H)	C[5](C[5]C[5,6a]O)2(CC[5a]H)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)	C[5a](C[5a]N[5a]C)2(CC[5]H){1|C<3>}	C[5](C[5]C[5,6a]O)2(CC[5a]H){2|C<3>}	130.9860	0.000	1	130.9860	0.000	1	133.4120	11.771	2	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5]H)	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5]H){2|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[5a]H){1|O<1>}	132.2740	0.000	1	132.2740	0.000	1	128.3380	11.672	3	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]H){2|C<3>}	126.3700	0.324	2	126.3700	0.105	2	128.3380	11.672	3	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[5a]H){1|C<4>}	135.7300	0.000	2	135.7300	0.000	2	135.7300	0.000	2	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5,6]-3:C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]N[5,6]C[5])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CC[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5]O)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]N[5,6]C[5])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CC[5]H){1|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5]O)(CC[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	129.3530	0.000	1	129.3530	0.000	1	129.3530	0.000	1	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5]H)	C[5](C[5]C[5]Ni)(C[5]C[5]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]Ni)(C[5]C[5]C)(CC[5a]H){2|C<3>}	122.0360	0.172	4	122.0360	0.030	4	123.0393	2.434	6	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5]H)	C[5](C[5]C[5]Rh)(C[5]C[5]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]Rh)(C[5]C[5]C)(CC[5a]H){2|C<3>}	125.0460	0.016	2	125.0460	0.000	2	123.0393	2.434	6	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5]H)	C[5](N[5]C[5]Co)(C[5]C[5]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	C[5](N[5]C[5]Co)(C[5]C[5]C)(CC[5a]H){1|C<4>,1|O<1>}	122.3230	0.000	1	122.3230	0.000	1	123.4649	2.481	9	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5]H)	C[5](N[5]C[5]Fe)(C[5]C[5]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	C[5](N[5]C[5]Fe)(C[5]C[5]C)(CC[5a]H){1|C<3>}	124.8190	0.000	1	124.8190	0.000	1	123.4649	2.481	9	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5]H)	C[5](N[5]C[5]Fe)(C[5]C[5]O)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	C[5](N[5]C[5]Fe)(C[5]C[5]O)(CC[5a]H){1|C<3>,2|C<4>}	125.3595	1.032	2	125.3595	1.064	2	123.4649	2.481	9	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5]H)	C[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	C[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[5a]H){1|C<4>,1|O<1>}	121.8903	0.574	3	121.8903	0.329	3	123.4649	2.481	9	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5]H)	C[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	C[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]H){1|C<4>,1|O<1>}	123.8260	0.325	2	123.8260	0.106	2	123.4649	2.481	9	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	O[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5]H)	C[5](O[5]C[5]Pd)(C[5]C[5]H)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	C[5](O[5]C[5]Pd)(C[5]C[5]H)(CC[5a]H){1|C<3>,1|H<1>}	130.3470	0.000	1	130.3470	0.000	1	130.3470	0.000	1	126.8023	22.451	38	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd2)(CC[5a]H)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd2)(CC[5a]H){1|C<4>,1|H<1>,2|C<3>}	126.8325	1.079	4	126.8325	1.164	4	126.8325	1.164	4	127.0757	1.180	6	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5,5]-3:P[5]-4:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5]H)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]H){2|C<4>,2|H<1>,3|C<3>}	127.5620	1.302	2	127.5620	1.696	2	127.5620	1.696	2	127.0757	1.180	6	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]H)(CC[5]H)	C[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]H)(CC[5]H){2|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>,1|H<1>}	126.5220	0.000	1	126.5220	0.000	1	128.0143	2.376	26	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]H)(CC[5]H)	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]H)(CC[5]H){2|C<3>}	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H){1|C<3>,2|H<1>}	126.0730	0.000	1	126.0730	0.000	1	128.0143	2.376	26	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H){1|C<3>,1|H<1>,1|O<2>}	128.9800	0.000	1	129.4262	0.401	4	128.0143	2.376	26	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H){1|C<3>,2|H<1>}	129.0190	0.000	1	129.4262	0.401	4	128.0143	2.376	26	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H){1|C<3>,2|H<1>}	129.8530	0.687	2	129.4262	0.401	4	128.0143	2.376	26	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>,1|H<1>}	128.7560	1.152	3	128.5290	1.252	6	128.0143	2.376	26	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){2|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>,1|H<1>}	128.3020	1.283	3	128.5290	1.252	6	128.0143	2.376	26	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]CO)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CO)(N[5]C[5])(CC[5a]H){1|C<3>,1|O<1>}	128.4520	0.000	1	128.4520	0.000	1	128.0143	2.376	26	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5a]H){1|C<3>,2|C<4>}	128.2460	0.000	1	128.2460	0.000	1	128.0143	2.376	26	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]HO)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]HO)(N[5]C[5])(CC[5a]H){1|C<3>,2|C<4>}	128.3570	0.000	1	128.3570	0.000	1	128.0143	2.376	26	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H){1|C<3>,2|H<1>}	126.3360	0.000	1	125.7640	4.534	3	128.0143	2.376	26	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H){1|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	123.4070	0.000	1	125.7640	4.534	3	128.0143	2.376	26	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H){1|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H){1|C<3>,2|H<1>}	127.5490	0.000	1	125.7640	4.534	3	128.0143	2.376	26	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H){1|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5a]H){3|C<4>}	127.0450	0.000	1	127.0450	0.000	1	128.0143	2.376	26	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H){1|C<3>,2|H<1>}	128.9737	0.082	3	128.9737	0.007	3	128.0143	2.376	26	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]CO)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]CO)(N[5]C[5])(CC[5a]H){1|C<3>,1|O<1>}	126.1980	0.000	1	126.1980	0.000	1	128.0143	2.376	26	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]C[6]C)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C[6]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	128.1460	0.000	1	128.1460	0.000	1	128.0143	2.376	26	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H){2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5a]H){1|C<3>,2|C<4>}	128.1200	2.167	2	128.1200	4.694	2	128.0143	2.376	26	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:O[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5a]H){1|O<1>,2|C<4>}	124.9370	0.000	1	124.9370	0.000	1	124.9660	0.002	2	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:O[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5a]H){1|O<1>,2|C<4>}	124.9950	0.000	1	124.9950	0.000	1	124.9660	0.002	2	127.7965	2.839	28	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:3:2:	C[5a]-3:C[5]-3:Br-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(Br)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]Br)	C[5](C[5]C[5]CC)(CC[5a]Br)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(Br)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]Br){1|C<3>,1|H<1>}	C[5](C[5]C[5]CC)(CC[5a]Br)(N[5]C[5]){1|C<3>,2|H<1>}	128.8790	0.000	1	128.8790	0.000	1	130.1397	1.914	3	130.1397	1.914	3	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:3:2:	C[5a]-3:C[5]-3:Br-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(Br)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]Br)	C[5](C[5]C[5]HH)(CC[5a]Br)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(Br)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]Br){1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(CC[5a]Br)(N[5]C[5]){1|C<3>,2|C<4>}	131.6200	0.000	1	130.7700	1.445	2	130.1397	1.914	3	130.1397	1.914	3	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:3:2:	C[5a]-3:C[5]-3:Br-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(Br)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]Br)	C[5](C[5]C[5]HH)(CC[5a]Br)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(Br)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]Br){2|C<3>}	C[5](C[5]C[5]HH)(CC[5a]Br)(N[5]C[5]){1|C<3>,2|C<4>}	129.9200	0.000	1	130.7700	1.445	2	130.1397	1.914	3	130.1397	1.914	3	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	130.0770	0.000	1	130.0770	0.000	1	130.0770	0.000	1	126.3547	3.804	20	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H){2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	127.2480	0.742	2	127.2480	0.551	2	127.2480	0.551	2	126.3547	3.804	20	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Pd)(CC[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Pd)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Pd)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Pd)(CC[5a]H){3|C<4>}	124.7000	0.000	1	124.7000	0.000	1	125.9810	1.727	3	126.3547	3.804	20	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Zn)(CC[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Zn)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Zn)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Zn)(CC[5a]H){1|C<3>,2|C<4>}	126.6215	0.996	2	126.6215	0.993	2	125.9810	1.727	3	126.3547	3.804	20	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5]H)	C[5](C[5]C[5]CuO)(C[5]C[5]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]CuO)(C[5]C[5]C)(CC[5a]H){2|C<3>}	127.9110	0.540	2	127.9110	0.292	2	125.2103	9.826	4	126.3547	3.804	20	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5]H)	C[5](C[5]C[5]NiC)(C[5]C[5]C)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]NiC)(C[5]C[5]C)(CC[5a]H){2|C<3>}	122.5095	0.107	2	122.5095	0.011	2	125.2103	9.826	4	126.3547	3.804	20	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5a]H){1|C<3>,2|H<1>}	124.5370	0.000	1	124.5370	0.000	1	126.3738	1.965	10	126.3547	3.804	20	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Co)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Co)(CC[5a]H){1|C<3>,2|C<4>}	124.6890	0.000	1	124.6890	0.000	1	126.3738	1.965	10	126.3547	3.804	20	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(CC[5a]H){1|C<3>,2|C<4>}	125.4000	0.000	1	125.4000	0.000	1	126.3738	1.965	10	126.3547	3.804	20	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]Cu)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]Cu)(CC[5a]H){1|C<3>,2|H<1>}	126.0700	0.000	1	126.0700	0.000	1	126.3738	1.965	10	126.3547	3.804	20	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]Fe)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]CC)(N[5]C[5]Fe)(CC[5a]H){1|C<3>,1|O<1>}	126.0730	1.114	2	126.0730	1.242	2	126.3738	1.965	10	126.3547	3.804	20	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]Zn)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5]H){1|Br<1>,1|C<3>}	C[5](C[5]C[5]CC)(N[5]C[5]Zn)(CC[5a]H){1|C<3>,2|H<1>}	128.8150	0.000	1	127.9387	0.583	3	126.3738	1.965	10	126.3547	3.804	20	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]Zn)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]Zn)(CC[5a]H){1|C<3>,2|H<1>}	127.5005	0.121	2	127.9387	0.583	3	126.3738	1.965	10	126.3547	3.804	20	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Zn)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Zn)(CC[5a]H){1|C<3>,2|C<4>}	127.0800	0.000	1	127.0800	0.000	1	126.3738	1.965	10	126.3547	3.804	20	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5,6]-4:C[5]-4:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5,6]C[5])(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(CC[5a]H)	C(C[5a]C[5a]N[5a])(C[5]C[5,6]C[5])(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[5]H){2|C<3>,2|N<2>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(CC[5a]H){1|C<4>,2|C<3>,2|H<1>}	124.4950	0.000	1	124.4950	0.000	1	124.4950	0.000	1	124.4950	0.000	1	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:2:	2:2:3:	3:4:3:	C[5a]-3:C[5]-3:C-2:	N[5a]-2:S[5a]-2:C-3:	N[5]-3:C[5]-4:C-3:	C(C[5a]N[5a]S[5a])(C[5]C[5]N[5])(CN)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5]C)	C[5](N[5]C[3]C[5])(C[5]C[5]HH)(CC[5a]C)	C(C[5a]N[5a]S[5a])(C[5]C[5]N[5])(CN)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5]C){2|C<3>}	C[5](N[5]C[3]C[5])(C[5]C[5]HH)(CC[5a]C){2|C<4>,5|H<1>}	123.1340	0.792	2	123.1340	0.627	2	123.1340	0.627	2	123.1340	0.627	2	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:2:	2:2:3:	4:3:3:	C[5a]-3:C[5]-3:C-2:	N[5a]-2:S[5a]-2:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5a]N[5a]S[5a])(C[5]C[5]N[5])(CN)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]C)	C(C[5a]N[5a]S[5a])(C[5]C[5]N[5])(CN)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5]C){2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]C){4|H<1>}	123.0380	0.000	1	123.0380	0.000	1	123.0380	0.000	1	123.0380	0.000	1	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:2:	3:2:3:	3:2:3:	C[5]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:C-3:	C[5,6a]-3:N[5]-2:C-3:	C(C[5]C[5,6a]N[5])(C[5a]C[5a]S[5a])(CN)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]C)	C(C[5]C[5,6a]N[5])(C[5a]C[5a]S[5a])(CN)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]C){1|C<3>,1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]C){1|H<1>,1|N<3>,2|C<3>}	125.3120	0.000	1	125.5470	0.110	2	125.5470	0.110	2	123.8300	8.899	3	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:2:	3:2:3:	3:2:3:	C[5]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:C-3:	C[5,6a]-3:N[5]-2:C-3:	C(C[5]C[5,6a]N[5])(C[5a]C[5a]S[5a])(CN)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]C)	C(C[5]C[5,6a]N[5])(C[5a]C[5a]S[5a])(CN)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]C){2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]C){1|H<1>,1|N<3>,2|C<3>}	125.7820	0.000	1	125.5470	0.110	2	125.5470	0.110	2	123.8300	8.899	3	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:2:	3:2:3:	3:2:3:	C[5]-3:C[5a]-3:C-2:	N[5a]-3:N[5a]-2:C-3:	N[5]-3:S[5]-2:C-3:	C(C[5]N[5]S[5])(C[5a]N[5a]2)(CN)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5]C)	C[5](N[5]C[6a]C[5])(S[5]C[5])(CC[5a]C)	C(C[5]N[5]S[5])(C[5a]N[5a]2)(CN)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5]C){2|C<3>}	C[5](N[5]C[6a]C[5])(S[5]C[5])(CC[5a]C){2|C<3>,4|H<1>}	120.3960	0.000	1	120.3960	0.000	1	120.3960	0.000	1	123.8300	8.899	3	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:2:	3:2:3:	4:3:3:	C[5]-3:C[5a]-3:C-2:	N[5a]-3:N[5a]-2:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[5a]N[5a]2)(CN)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]C)	C(C[5]C[5]N[5])(C[5a]N[5a]2)(CN)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5]C){2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]C){4|H<1>}	123.8230	0.000	1	123.8230	0.000	1	123.8230	0.000	1	123.8230	0.000	1	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:C-2:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]C)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]C){1|C<3>,1|H<1>}	126.0780	0.709	8	126.0780	0.502	8	126.0780	0.502	8	125.1280	1.754	23	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:C-2:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(CN)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C)	C[5](C[5]C[5]Cl)(O[5]C[5])(CC[5a]C)	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(CN)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C){1|C<3>,1|H<1>}	C[5](C[5]C[5]Cl)(O[5]C[5])(CC[5a]C){1|Cl<1>,1|O<1>}	126.6383	1.332	3	126.6383	1.775	3	126.6383	1.775	3	125.1280	1.754	23	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:S-2:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(SC[6a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]S)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]S)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(SC[6a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]S){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]S){1|C<3>,1|C<4>}	124.1172	0.687	12	124.1172	0.472	12	124.1172	0.472	12	125.1280	1.754	23	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C-2:	N[5a]-3:C[5a]-3:C-3:	N[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CC)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5]C)	C[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[5a]C)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CC)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5]C){1|C<3>,1|C<4>}	C[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[5a]C){1|C<4>,1|O<1>}	121.2320	0.000	1	121.2320	0.000	1	121.2320	0.000	1	121.2320	0.000	1	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:2:	C[5]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5,6a]-3:C-3:N[5]-2:	C(C[5]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(CC[5a]C[6a])(N[5]C[5])	C(C[5]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]C[5]){1|C<3>,1|S<2>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(CC[5a]C[6a])(N[5]C[5]){4|C<3>}	119.9735	3.204	2	119.9735	10.265	2	119.9735	10.265	2	123.8631	22.268	7	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:2:	C[5a]-3:C[5]-3:C[6]-3:	C[5a]-3:O[5a]-2:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]C[6])	C[5](CC[5a]C[6])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]C[6]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	130.2770	0.000	1	130.2770	0.000	1	130.2770	0.000	1	123.8631	22.268	7	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]C[5]){1|C<3>,1|S<2>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	120.6205	0.313	2	120.6205	0.098	2	120.6205	0.098	2	123.8631	22.268	7	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5]-3:C-3:N[5]-2:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]C[5])	C[5](C[5]C[5,6a]H)(CC[5a]C[6a])(N[5]C[5,6a])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]C[5]){1|C<3>,1|S<2>}	C[5](C[5]C[5,6a]H)(CC[5a]C[6a])(N[5]C[5,6a]){2|C<3>}	127.7885	0.046	2	127.7885	0.002	2	127.7885	0.002	2	123.8631	22.268	7	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:C[5]-3:N-3:	C[5a]-3:O[5a]-2:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(NCH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]N)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]N)	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(NCH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]N){2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]N){1|C<3>}	122.1262	0.346	4	122.1262	0.120	4	122.1270	0.268	6	122.4353	0.889	7	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:C[5]-3:N-3:	C[5a]-3:O[5a]-2:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(NC[6a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]N)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]N)	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(NC[6a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]N){2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]N){1|C<3>}	122.1285	0.991	2	122.1285	0.981	2	122.1270	0.268	6	122.4353	0.889	7	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:C[5]-3:N-3:	C[5a]-3:O[5a]-2:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(NHS)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]N)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[5a]N)	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(NHS)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]N){2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[5a]N){2|C<3>}	124.2850	0.000	1	124.2850	0.000	1	124.2850	0.000	1	122.4353	0.889	7	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C-3:O[5a]-2:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(CC[5a]C[5])(O[5a]C[5a])	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]2)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(CC[5a]C[5])(O[5a]C[5a]){2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]2){1|C<3>,1|H<1>}	116.7430	0.665	2	116.7430	0.442	2	116.7430	0.442	2	116.7430	0.442	2	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a,5a]-3:C-3:N[5a]-2:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a,5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a,5a]C[5a,5a]N[5a])(CC[6a]C[5])(N[5a]C[5a])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a,5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a,5a]C[5a,5a]N[5a])(CC[6a]C[5])(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	124.6380	0.048	2	124.6380	0.002	2	124.6380	0.002	2	123.6047	2.876	47	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:C-3:O[5a]-2:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(O[5a]C[5a])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	128.5620	0.000	1	128.5620	0.000	1	128.5620	0.000	1	123.6047	2.876	47	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:C-3:S[5a]-2:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(S[5a]C[5a])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(S[5a]C[5a]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	123.3576	1.575	41	123.4450	2.429	44	123.4450	2.429	44	123.6047	2.876	47	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:C-3:S[5a]-2:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(S[5a]C[5a])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(S[5a]C[5a]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	124.6400	0.580	3	123.4450	2.429	44	123.4450	2.429	44	123.6047	2.876	47	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C-3:O[5a]-2:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(O[5a]C[5a])	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]H){2|C<3>}	122.1368	1.262	4	122.1368	1.593	4	122.1368	1.593	4	122.1368	1.593	4	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	2:2:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-3:	N[5]-2:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])2(C[5]N[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]C[5])	C[5](N[5]N[5])2(CC[5a]2)	C(C[5a]C[5a]N[5a])2(C[5]N[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]C[5]){1|C<3>,1|O<2>}	C[5](N[5]N[5])2(CC[5a]2)	118.6860	0.260	2	118.6860	0.068	2	118.6860	0.068	2	118.6860	0.068	2	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:S[5]-2:S[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[5]S[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2)	C[5](CC[5a]C[5])(S[5]C[5])2	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[5]S[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2){1|C<3>,1|H<1>}	C[5](CC[5a]C[5])(S[5]C[5])2{2|S<2>}	121.0375	0.404	2	121.0375	0.163	2	121.0375	0.163	2	123.4499	1.197	15	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:N[5a]-3:C-3:	C-3:N[5]-2:O[5]-2:	C(C[5a]C[5,5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(N[5]C[5])(O[5]C[5])	C(C[5a]C[5,5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(CC[6a]C[5]){1|N<3>,1|O<1>,2|C<3>}	C[5](CC[5a]C[6a])(N[5]C[5])(O[5]C[5]){1|C<3>,1|O<1>}	123.8587	0.432	10	123.8587	0.187	10	123.8587	0.187	10	123.4499	1.197	15	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:C-3:	C-3:N[5]-2:O[5]-2:	C(C[5a]C[5a,5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(N[5]C[5])(O[5]C[5])	C(C[5a]C[5a,5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<3>,2|C<3>}	C[5](CC[5a]C[6a])(N[5]C[5])(O[5]C[5]){1|C<3>,1|O<1>}	123.6955	1.193	2	123.6955	1.423	2	123.6955	1.423	2	123.4499	1.197	15	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:N[5]-2:O[5]-2:	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(N[5]C[5])(O[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(N[5]C[5])(O[5]C[5]){1|C<3>,2|C<4>}	123.6950	0.000	1	123.6950	0.000	1	123.6950	0.000	1	123.4499	1.197	15	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:N-3:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(NCH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[5]N)	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]N)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(NCH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[5]N){1|C<3>,1|N<2>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]N){1|C<4>,1|H<1>}	121.9660	0.000	1	121.9660	0.000	1	129.7497	14.530	7	128.7434	15.031	9	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:N-3:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(NOO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]N)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]N)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(NOO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]N){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]N){1|C<3>,1|C<4>}	131.0470	1.816	6	131.0470	3.299	6	129.7497	14.530	7	128.7434	15.031	9	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]C[5])	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]2)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]2){1|C<3>,1|H<1>}	125.2215	1.081	2	125.2215	1.169	2	125.2215	1.169	2	128.7434	15.031	9	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	122.6376	0.868	5	122.9663	2.070	8	122.9663	2.070	8	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	123.5140	2.240	3	122.9663	2.070	8	122.9663	2.070	8	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5,6a]-3:C-3:N[5]-2:	C(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5])	C(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5]){1|H<1>,3|C<3>}	126.5920	0.000	1	126.5920	0.000	1	126.5920	0.000	1	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:B[5]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(B[5]O[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CB[5]C[5])	C[5](CC[5a]B[5])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(B[5]O[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CB[5]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]B[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	124.4010	0.000	1	124.4010	0.000	1	124.4010	0.000	1	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[5]S[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2)	C[5](CC[5a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[5]S[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2){1|C<3>,1|H<1>}	C[5](CC[5a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	118.6440	0.470	2	118.6440	0.220	2	118.6440	0.220	2	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C[6])	C[5](CC[5a]C[6])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C[6]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	122.8057	4.619	7	122.8057	21.334	7	122.8057	21.334	7	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a,6,6]-3:N[5a]-3:C-3:	C[5,6,6]-3:C-3:N[5]-2:	C(C[5a]C[5a,6,6]N[5a])(C[5]C[5,6,6]N[5])(C[6a]C[6a]2)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5,6,6]C[5,6,6]C[3x6])(CC[5a]C[6a])(N[5]C[5])	C(C[5a]C[5a,6,6]N[5a])(C[5]C[5,6,6]N[5])(C[6a]C[6a]2)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(CC[5a]C[6a])(N[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	128.4290	0.000	1	128.4290	0.000	1	128.4290	0.000	1	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	C[5,6a]-3:C-3:N[5]-2:	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5])	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	125.8070	0.000	1	125.8070	0.000	1	125.8070	0.000	1	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]H)(CC[6a]C[5]){2|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	123.6820	0.141	2	123.6820	0.020	2	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]H)(CC[6a]C[5]){1|C<3>,1|S<2>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){2|H<1>}	124.2180	0.000	1	124.2180	0.000	1	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Br)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	C[5](CC[5a]C[6a])(C[5]C[5]Br)(N[5]C[5]){1|C<3>,1|H<1>}	123.6790	0.000	1	123.6790	0.000	1	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<2>,1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5]){1|C<2>,1|C<3>}	126.0550	1.571	2	123.7853	2.301	13	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>}	123.3726	1.139	11	123.7853	2.301	13	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|Br<1>,1|C<3>}	126.5874	0.824	5	126.0810	0.876	11	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	125.6590	0.859	6	126.0810	0.876	11	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	125.0475	0.558	2	125.0475	0.311	2	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Cl)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5]){4|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]Cl)(N[5]C[5]){1|Cl<1>,1|C<3>}	122.2653	0.317	4	122.2653	0.101	4	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Cu)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Cu)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]Cu)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Cu)(N[5]C[5]){1|C<3>,1|O<2>}	115.8450	0.000	1	115.8450	0.000	1	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]F)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]O[5]O)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]F)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|F<1>}	C[5](CC[5a]C[6a])(C[5]O[5]O)(N[5]C[5]){1|C<3>}	124.7460	0.163	2	124.7460	0.026	2	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	121.4806	0.677	5	121.4806	0.458	5	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5,6]O)(N[5]C[5,6])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5,6]O)(N[5]C[5,6]){1|C<3>,1|C<4>,1|O<2>}	124.9680	0.000	1	124.9680	0.000	1	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Br)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Br)(N[5]C[5]){1|Br<1>,1|C<3>}	125.2420	2.459	2	124.5171	1.503	7	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Br)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Br)(N[5]C[5]){1|C<3>,1|H<1>}	124.2272	0.612	5	124.5171	1.503	7	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5]){1|C<2>,1|C<3>}	125.3400	0.446	5	124.9537	1.888	8	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|H<1>}	124.3100	2.284	3	124.9537	1.888	8	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|Br<1>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|Br<1>,1|H<1>}	122.8520	0.000	1	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	126.0320	0.206	2	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|Au<4>,1|C<3>}	126.9350	0.000	1	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|Br<1>,1|C<3>}	125.3240	0.000	1	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|Br<1>,1|H<1>}	123.6063	0.675	3	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<2>,1|C<3>}	125.4430	0.112	2	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	125.0542	1.479	334	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|N<3>}	125.7180	0.000	1	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|O<2>}	119.9800	0.000	1	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	128.5470	0.000	1	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<2>}	124.7760	3.766	3	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<3>}	122.9061	1.061	10	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|O<2>}	125.7707	1.933	9	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|S<2>}	124.0483	1.173	6	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){2|C<3>}	122.9440	0.000	1	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){2|H<1>}	123.6505	0.476	2	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	125.8032	1.560	5	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	124.1460	1.856	5	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|Cl<1>,1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|Cl<1>,1|C<3>}	122.8870	0.000	1	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<2>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	124.9338	0.497	8	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	124.0830	0.000	1	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<3>}	123.1970	0.000	1	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){2|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	123.8170	1.044	2	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	124.4798	0.861	6	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	125.0170	0.000	1	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|O<2>}	123.4370	0.000	1	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){2|H<1>}	124.4997	0.442	10	124.9366	2.342	419	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]N)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]N)(N[5]C[5]){1|C<3>,1|H<1>}	124.2550	0.000	1	124.2550	0.000	1	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]S)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]S)(N[5]C[5]){1|C<3>,1|H<1>}	121.9400	0.000	1	121.9400	0.000	1	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]O[5]O)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]O[5]O)(N[5]C[5]){1|C<3>}	125.0524	0.772	12	125.0524	0.596	12	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(CC[6a]C[5])	C[5](CC[5a]C[6a])(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)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	126.0948	0.927	4	126.0948	0.859	4	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]N[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]N[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	126.2605	1.873	4	126.2605	3.507	4	124.8580	2.586	499	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]C[5]){1|C<4>,3|C<3>}	124.2960	0.113	2	121.4740	10.830	4	122.4424	12.812	5	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5]){4|C<3>}	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]C[5]){4|C<3>}	118.6520	0.789	2	121.4740	10.830	4	122.4424	12.812	5	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5]C[5,5a]H)(CC[5a]C[6a])(N[5]C[5,5a])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){2|H<1>}	C[5](C[5]C[5,5a]H)(CC[5a]C[6a])(N[5]C[5,5a]){1|C<3>,1|N<3>}	126.3160	0.000	1	126.3160	0.000	1	122.4424	12.812	5	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]N[5a,5a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]N[5a,5a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,3|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	121.7700	0.000	1	121.7700	0.000	1	121.7700	0.000	1	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Au)(C[5a]C[5a]C)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Au)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Au)(C[5a]C[5a]C)(CC[6a]C[5]){1|C<2>,1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]Au)(N[5]C[5]){1|Au<4>,1|C<3>}	125.3588	1.068	4	125.3588	1.140	4	124.5037	2.739	6	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Au)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Au)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Au)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Au)(N[5]C[5]){1|C<3>,1|H<1>}	122.7935	1.225	2	122.7935	1.502	2	124.5037	2.739	6	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:N[5]-3:O[5]-2:	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(N[5]C[5]Zn)(O[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(N[5]C[5]Zn)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>}	123.1900	0.000	1	123.1900	0.000	1	123.1900	0.000	1	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	125.8215	2.507	2	124.6727	7.101	3	124.6727	7.101	3	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	122.3750	0.000	1	124.6727	7.101	3	124.6727	7.101	3	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5])	C(C[6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>}	123.5750	0.000	1	123.5750	0.000	1	122.8920	0.933	2	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	122.2090	0.000	1	122.2090	0.000	1	122.8920	0.933	2	124.7473	3.177	538	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5,6a]-3:C-3:C[5]-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]O)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]C[5]){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	129.8320	0.562	5	129.8320	0.316	5	129.8320	0.316	5	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C[5,6a]-3:C-3:C[5]-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]2)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,3|C<3>}	129.0690	0.000	1	129.0690	0.000	1	129.0690	0.000	1	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5])(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5])(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]C){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]C){2|C<3>,2|H<1>}	125.9560	0.000	1	125.9560	0.000	1	125.9560	0.000	1	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]2)(C[5]C[5]2)(CC[6a]O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5]C)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]C)	C(C[5a]C[5a]2)(C[5]C[5]2)(CC[6a]O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5]C){1|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]C){1|C<3>}	127.1435	4.522	2	127.1435	20.448	2	127.1435	20.448	2	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5,6a]-3:C-3:C[5]-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]O[5]O)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]C[5]){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]O[5]O){1|H<1>,2|C<3>}	120.7065	0.018	2	120.7065	0.000	2	120.7065	0.000	2	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]Pt)(CC[5a]C[6a])	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]Pt)(CC[5a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	116.7300	0.000	1	116.7300	0.000	1	116.7300	0.000	1	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:C[5]-3:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]H){1|H<1>,1|O<1>}	120.7120	0.000	1	120.7120	0.000	1	121.1600	0.663	3	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:C[5]-3:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]H){1|H<1>,1|O<1>}	122.1000	0.000	1	122.1000	0.000	1	121.1600	0.663	3	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:C[5]-3:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Re)(N[5]C[5]C)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Re)(N[5]C[5]C){1|C<3>,1|O<1>}	120.6680	0.000	1	120.6680	0.000	1	121.1600	0.663	3	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:N[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(N[5]C[5]Ir)(C[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(N[5]C[5]Ir)(C[5]C[5]H){1|C<3>,2|H<1>}	123.8980	0.000	1	123.8980	0.000	1	121.4857	5.433	3	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:N[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(N[5]C[5]Ni)(C[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(N[5]C[5]Ni)(C[5]C[5]H){1|O<2>,2|C<3>}	120.2795	1.462	2	120.2795	2.136	2	121.4857	5.433	3	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:O[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(O[5]C[5]Co)(C[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(O[5]C[5]Co)(C[5]C[5]H){1|C<3>,1|H<1>}	126.5875	0.370	2	126.5875	0.137	2	127.7005	2.092	4	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:O[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(O[5]C[5]Pd)(C[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,1|H<1>}	C[5](CC[5a]C[6a])(O[5]C[5]Pd)(C[5]C[5]H){1|C<3>,1|H<1>}	128.8135	1.088	2	128.8135	1.184	2	127.7005	2.092	4	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:S[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(S[5]C[5]Pd)(C[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(S[5]C[5]Pd)(C[5]C[5]H){1|C<3>,1|H<1>}	125.7880	0.300	2	125.8312	0.121	4	124.7698	2.992	11	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:S[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(S[5]C[5]Pd)(C[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,1|H<1>}	C[5](CC[5a]C[6a])(S[5]C[5]Pd)(C[5]C[5]H){1|C<3>,1|H<1>}	125.8745	0.515	2	125.8312	0.121	4	124.7698	2.992	11	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:S[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(S[5]C[5]Re)(C[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(S[5]C[5]Re)(C[5]C[5]H){1|C<3>,1|H<1>}	121.5460	0.324	2	121.5460	0.105	2	124.7698	2.992	11	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:S[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(S[5]C[5]Rh)(C[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,1|H<1>}	C[5](CC[5a]C[6a])(S[5]C[5]Rh)(C[5]C[5]H){1|C<3>,1|H<1>}	126.2210	0.000	1	126.2210	0.000	1	124.7698	2.992	11	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:S[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(S[5]C[5]Ru)(C[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(S[5]C[5]Ru)(C[5]C[5]H){1|C<3>,1|H<1>}	124.9575	0.798	4	124.9575	0.636	4	124.7698	2.992	11	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C[5,6]-3:C-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5,6]C[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(CC[5a]C[6a])(C[5]N[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5,6]C[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](C[5,6]C[5,6]C[6])(CC[5a]C[6a])(C[5]N[5]H){1|Re<6>,1|C<3>,1|N<3>}	127.5700	0.000	1	127.5700	0.000	1	127.5700	0.000	1	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C[5]-3:C-3:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[6a]C[5])	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]N[5]Pd)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[6a]C[5]){1|C<3>,1|C<4>}	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]N[5]Pd){1|Pd<4>,3|C<3>}	121.6060	0.173	2	121.6060	0.030	2	121.6060	0.030	2	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](N[5]C[5,6a]Ni)(C[5]C[5,6a]O)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](N[5]C[5,6a]Ni)(C[5]C[5,6a]O)(CC[5a]C[6a]){2|C<3>}	119.8140	0.000	1	119.8140	0.000	1	119.8140	0.000	1	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5a]-3:C-3:	C[5]-3:C-3:C[5]-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H){1|H<1>,2|C<3>}	127.6300	0.000	1	127.6300	0.000	1	127.6300	0.000	1	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]O){2|C<3>}	125.0025	0.749	2	125.0025	0.561	2	124.0593	5.025	7	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]N[5]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]N[5]H){1|C<3>}	122.9300	0.000	1	122.9300	0.000	1	124.0593	5.025	7	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<3>}	122.4680	0.000	1	122.4680	0.000	1	124.0593	5.025	7	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]O){1|C<3>,1|H<1>}	127.7900	0.000	1	126.0585	5.996	2	124.0593	5.025	7	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]O){1|C<3>}	124.3270	0.000	1	126.0585	5.996	2	124.0593	5.025	7	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]S)(C[5]N[5]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]S)(C[5]N[5]H){1|C<3>}	120.8950	0.000	1	120.8950	0.000	1	124.0593	5.025	7	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5]C[5,6a]O)2(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5,6a]O)2(CC[5a]C[6a]){2|C<3>}	127.3810	0.772	2	127.3810	0.596	2	127.3810	0.596	2	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	N[5a,5a]-3:C[5a]-3:C-3:	C[5]-3:C-3:C[5]-3:	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H)	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H){3|C<3>}	126.3135	0.131	2	126.3135	0.017	2	126.3135	0.017	2	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Cu)(C[5]N[5]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Cu)(C[5]N[5]O){1|C<3>}	120.9810	0.000	1	120.9810	0.000	1	122.6081	1.956	8	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Pd)(C[5]C[5]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Pd)(C[5]C[5]C){2|C<3>}	122.8165	0.499	2	122.8165	0.249	2	122.6081	1.956	8	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Pt)(C[5]C[5]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Pt)(C[5]C[5]C){2|C<3>}	122.6425	0.668	2	122.6425	0.447	2	122.6081	1.956	8	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Re)(C[5]N[5]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Re)(C[5]N[5]O){1|C<3>,1|C<4>}	120.4900	0.000	1	120.4900	0.000	1	122.6081	1.956	8	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Ru)(C[5]C[5]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Ru)(C[5]C[5]C){2|C<3>}	124.2380	0.680	2	124.2380	0.463	2	122.6081	1.956	8	124.6091	10.639	57	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-4:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<2>}	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5]){1|N<2>,2|H<1>}	125.5120	0.000	1	125.2460	0.142	2	125.7264	0.472	7	124.2490	14.169	10	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-4:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){2|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5]){1|C<3>,2|C<4>}	124.9800	0.000	1	125.2460	0.142	2	125.7264	0.472	7	124.2490	14.169	10	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-4:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]HO)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]HO)(N[5]C[5]){1|C<3>,1|H<1>,1|O<2>}	126.2253	0.233	4	126.2253	0.054	4	125.7264	0.472	7	124.2490	14.169	10	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-4:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]O[5]CC)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]O[5]CC)(N[5]C[5]){1|C<3>}	124.6920	0.000	1	124.6920	0.000	1	125.7264	0.472	7	124.2490	14.169	10	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-4:O[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]HH)(O[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<4>}	113.8120	0.000	1	113.8120	0.000	1	113.8120	0.000	1	124.2490	14.169	10	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-4:N[5]-2:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]CH)(N[5]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]CH)(N[5]C[5]){1|H<1>,2|C<3>}	124.2965	0.687	2	124.2965	0.471	2	124.2965	0.471	2	124.2490	14.169	10	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5]H)(CC[5a]C[6a])	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5]H)(CC[5a]C[6a]){1|H<1>,5|C<3>}	124.9400	0.000	1	124.9400	0.000	1	124.9400	0.000	1	122.6116	6.908	14	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]PdC)(CC[5a]C[6a])	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]PdC)(CC[5a]C[6a]){1|H<1>,3|C<3>}	122.2385	0.425	2	122.2385	0.181	2	122.2385	0.181	2	122.6116	6.908	14	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C-3:P[5]-4:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]P[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(P[5]C[5]CS)(C[5]C[5]C)	C(C[5a]C[5a]N[5a])(C[5]C[5]P[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(P[5]C[5]CS)(C[5]C[5]C){1|C<4>,2|C<3>}	120.0430	0.000	1	120.0430	0.000	1	120.0430	0.000	1	122.6116	6.908	14	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:C[5]-4:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5]Fe)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5]Fe){1|C<3>,2|H<1>}	124.5482	0.755	4	124.5482	0.569	4	124.4191	1.221	7	122.6116	6.908	14	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:C[5]-4:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5]Ir)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5]Ir){1|C<3>,1|H<1>}	124.7000	0.000	1	124.7000	0.000	1	124.4191	1.221	7	122.6116	6.908	14	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:C[5]-4:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5]Ni)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<2>}	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5]Ni){1|C<4>,1|H<1>,1|N<2>}	122.4150	0.000	1	122.4150	0.000	1	124.4191	1.221	7	122.6116	6.908	14	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C-3:C[5]-4:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](CC[5a]C[6a])(C[5]O[5]CO)(N[5]C[5]Zn)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]O[5]CO)(N[5]C[5]Zn){1|C<3>}	125.6260	0.000	1	125.6260	0.000	1	124.4191	1.221	7	122.6116	6.908	14	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[6a]-3:C[5]-3:	N[5a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]NiC)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]NiC)(CC[5a]C[6a]){1|N<2>,2|C<3>}	118.7227	0.937	3	118.7227	0.879	3	118.7227	0.879	3	122.6116	6.908	14	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5,5]-4:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5,5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]C[6a])(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5,5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]C[6a])(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	125.6205	0.445	2	126.1883	1.066	3	126.4532	0.992	4	124.2414	12.487	11	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5,5]-4:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5,5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]C[6a])(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5,5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]C[6a])(N[5]C[5]){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	127.3240	0.000	1	126.1883	1.066	3	126.4532	0.992	4	124.2414	12.487	11	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5,5]-4:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5,5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5,5]C[5,5]O[5]H)(CC[5a]C[6a])(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5,5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(CC[5a]C[6a])(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	127.2480	0.000	1	127.2480	0.000	1	126.4532	0.992	4	124.2414	12.487	11	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5]C[5,6]CH)(CC[5a]C[6a])(N[5]C[5,6])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5,6]CH)(CC[5a]C[6a])(N[5]C[5,6]){1|C<3>,1|H<1>,1|O<2>}	125.9355	0.612	2	125.9355	0.374	2	126.0735	0.248	4	124.2414	12.487	11	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5]C[5a]C[5]H)(CC[5a]C[6a])(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5a]C[5]H)(CC[5a]C[6a])(N[5]C[5]){1|H<1>,4|C<3>}	126.2115	0.541	2	126.2115	0.293	2	126.0735	0.248	4	124.2414	12.487	11	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5]C[5]NiC)(CC[5a]C[6a])(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]NiC)(CC[5a]C[6a])(N[5]C[5]){2|C<3>}	118.8493	0.683	3	118.8493	0.466	3	118.8493	0.466	3	124.2414	12.487	11	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5,6]-4:C[5,6a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CC[6a]C[5])	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CC[6a]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a]){1|H<1>,6|C<3>}	122.8170	0.000	1	122.8170	0.000	1	122.8170	0.000	1	122.2334	4.877	16	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:C-3:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5]C[5]AgH)(CC[5a]C[6a])(N[5]C[5]Co)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[6a]C[5]){2|H<1>}	C[5](C[5]C[5]AgH)(CC[5a]C[6a])(N[5]C[5]Co){2|H<1>}	124.3760	0.000	1	124.3760	0.000	1	121.1310	4.210	5	122.2334	4.877	16	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:C-3:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5]C[5]FeC)(CC[5a]C[6a])(N[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]FeC)(CC[5a]C[6a])(N[5]C[5]H){1|C<3>,1|H<1>}	118.7900	0.000	1	118.7900	0.000	1	121.1310	4.210	5	122.2334	4.877	16	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:C-3:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5]C[5]LiH)(CC[5a]C[6a])(N[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]LiH)(CC[5a]C[6a])(N[5]C[5]H){1|C<3>,1|H<1>}	121.4270	0.000	1	121.4270	0.000	1	121.1310	4.210	5	122.2334	4.877	16	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:C-3:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5]C[5]MnH)(CC[5a]C[6a])(N[5]C[5]Mn)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]MnH)(CC[5a]C[6a])(N[5]C[5]Mn){1|C<3>,1|H<1>}	120.5310	0.154	2	120.5310	0.024	2	121.1310	4.210	5	122.2334	4.877	16	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5]-4:C-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](N[5]C[5]FeN)(CC[5a]C[6a])(C[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](N[5]C[5]FeN)(CC[5a]C[6a])(C[5]C[5]H){1|C<3>,1|H<1>}	126.0960	1.154	2	126.0960	1.332	2	126.0960	1.332	2	122.2334	4.877	16	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:C-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5]C[5]FeC)(CC[5a]C[6a])(C[5]N[5]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]FeC)(CC[5a]C[6a])(C[5]N[5]H){1|C<3>,1|H<1>}	119.9420	0.000	1	119.9420	0.000	1	121.8839	2.535	8	122.2334	4.877	16	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:C-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5]C[5]LiH)(CC[5a]C[6a])(C[5]N[5]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]LiH)(CC[5a]C[6a])(C[5]N[5]H){1|C<3>,1|H<1>}	121.2950	0.000	1	121.2950	0.000	1	121.8839	2.535	8	122.2334	4.877	16	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:C-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5]C[5]MnH)(CC[5a]C[6a])(C[5]N[5]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]MnH)(CC[5a]C[6a])(C[5]N[5]H){1|Mn<5>,1|C<3>}	122.5485	0.100	2	121.4967	1.490	4	121.8839	2.535	8	122.2334	4.877	16	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:C-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5]C[5]MnH)(CC[5a]C[6a])(C[5]N[5]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,1|H<1>}	C[5](C[5]C[5]MnH)(CC[5a]C[6a])(C[5]N[5]H){1|Mn<5>,1|C<4>}	120.4450	0.188	2	121.4967	1.490	4	121.8839	2.535	8	122.2334	4.877	16	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:C-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5]C[5]PdO)(CC[5a]C[6a])(C[5]C[5]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]PdO)(CC[5a]C[6a])(C[5]C[5]C){2|C<3>}	123.9235	0.486	2	123.9235	0.236	2	121.8839	2.535	8	122.2334	4.877	16	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:C-4:	C[5a,6,6]-3:N[5a]-3:C-3:	C[5,6,6]-3:N[5]-2:C-3:	C(C[5a]C[5a,6,6]N[5a])(C[5]C[5,6,6]N[5])(CF3)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]H)(CC[5]C)	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5])(CC[5a]C)	C(C[5a]C[5a,6,6]N[5a])(C[5]C[5,6,6]N[5])(CF3)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]H)(CC[5]C){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5])(CC[5a]C){1|H<1>,2|C<3>,2|C<4>}	125.4213	0.506	3	125.4213	0.256	3	125.4213	0.256	3	123.9460	1.708	13	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:N[5a]-3:C-3:	C[5,6a]-3:N[5]-2:C-3:	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]C)	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5]C){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]C){1|H<1>,3|C<3>}	124.5540	0.000	1	124.5540	0.000	1	124.5540	0.000	1	123.9460	1.708	13	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CC3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]C)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CC3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]C){1|C<3>,1|H<1>}	120.5530	0.000	1	120.5530	0.000	1	123.3867	1.284	9	123.9460	1.708	13	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]C)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]C){1|C<3>,1|H<1>}	123.8399	0.340	7	123.8399	0.115	7	123.3867	1.284	9	123.9460	1.708	13	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CF3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]C)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CF3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]C){1|C<3>,1|H<1>}	123.0480	0.000	1	123.0480	0.000	1	123.3867	1.284	9	123.9460	1.708	13	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[5]-4:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]2Co)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2)	C[5](CC[5a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]2Co)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2){1|C<3>,1|H<1>}	C[5](CC[5a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	122.7930	0.000	1	122.7930	0.000	1	122.6493	0.382	3	122.6493	0.382	3	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[5]-4:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]2Fe)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2)	C[5](CC[5a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]2Fe)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2){1|C<4>,1|H<1>}	C[5](CC[5a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	123.1830	0.000	1	122.5775	0.733	2	122.6493	0.382	3	122.6493	0.382	3	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[5]-4:	C[5a]-3:N[5a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]2Fe)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2)	C[5](CC[5a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]2Fe)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2){2|H<1>}	C[5](CC[5a]C[5])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|O<2>}	121.9720	0.000	1	122.5775	0.733	2	122.6493	0.382	3	122.6493	0.382	3	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(CCFF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]C)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(CCFF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C){1|O<1>}	122.6730	1.342	2	122.6730	1.801	2	122.9396	0.881	11	123.0544	1.555	24	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(CCFF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]C)	C[5](C[5]C[6,6]C[5])(C[5]O[5]O)(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(CCFF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6,6]C[5])(C[5]O[5]O)(CC[5a]C){1|O<1>,2|C<4>}	122.2660	0.000	1	122.2660	0.000	1	122.9396	0.881	11	123.0544	1.555	24	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]C)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C){1|O<1>}	123.9905	0.886	2	123.9905	0.785	2	122.9396	0.881	11	123.0544	1.555	24	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]C)	C[5](C[5]C[6,6]C[5])(C[5]O[5]O)(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6,6]C[5])(C[5]O[5]O)(CC[5a]C){1|O<1>,2|C<4>}	124.1120	0.000	1	124.1120	0.000	1	122.9396	0.881	11	123.0544	1.555	24	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]C)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]C){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[5a]C){1|H<1>,1|O<1>}	122.6040	0.000	1	122.6040	0.000	1	122.9396	0.881	11	123.0544	1.555	24	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]C)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]C){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C){1|O<1>}	122.6450	0.000	1	122.6450	0.000	1	122.9396	0.881	11	123.0544	1.555	24	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]C)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C){1|O<1>}	123.3060	0.000	1	123.3060	0.000	1	122.9396	0.881	11	123.0544	1.555	24	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[5]C)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[5]C){1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C){1|O<1>}	122.0380	0.300	2	122.0380	0.090	2	122.9396	0.881	11	123.0544	1.555	24	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]2)(C[5]C[5]2)(CCCH)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[5]C)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C)	C(C[5a]C[5a]2)(C[5]C[5]2)(CCCH)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[5]C){1|C<4>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C){1|O<1>}	121.1253	0.063	3	121.1253	0.004	3	123.1515	2.224	13	123.0544	1.555	24	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]2)(C[5]C[5]2)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[5]C)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C)	C(C[5a]C[5a]2)(C[5]C[5]2)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[5]C){1|C<4>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C){1|O<1>}	123.5400	2.889	2	123.5400	8.348	2	123.1515	2.224	13	123.0544	1.555	24	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]2)(C[5]C[5]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[5]C)	C[5](C[5]C[5]2)(C[5]O[5]O)(CC[5a]C)	C(C[5a]C[5a]2)(C[5]C[5]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[5]C){1|C<4>}	C[5](C[5]C[5]2)(C[5]O[5]O)(CC[5a]C){1|O<1>,2|C<4>}	124.5000	0.000	1	124.5000	0.000	1	123.1515	2.224	13	123.0544	1.555	24	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]2)(C[5]C[5]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[5]C)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C)	C(C[5a]C[5a]2)(C[5]C[5]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[5]C){1|C<4>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C){1|O<1>}	124.0034	0.082	5	124.0034	0.007	5	123.1515	2.224	13	123.0544	1.555	24	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]2)(C[5]C[5]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[5]C)	C[5](C[5]C[5]C)(C[5]S[5]O)(CC[5a]C)	C(C[5a]C[5a]2)(C[5]C[5]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[5]C){1|C<4>}	C[5](C[5]C[5]C)(C[5]S[5]O)(CC[5a]C){1|O<1>}	123.3120	0.000	1	123.3120	0.000	1	123.1515	2.224	13	123.0544	1.555	24	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]2)(C[5]C[5]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[5]C)	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CC[5a]C)	C(C[5a]C[5a]2)(C[5]C[5]2)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[5]C){1|C<4>}	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CC[5a]C){1|O<1>,2|C<4>}	122.6850	0.000	1	122.6850	0.000	1	123.1515	2.224	13	123.0544	1.555	24	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]C)	C[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]C)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]C){1|C<3>,1|C<4>}	C[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]C){1|C<3>,1|C<4>,1|H<1>}	126.2150	0.000	1	126.2150	0.000	1	124.3978	1.679	4	124.3978	1.679	4	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C)	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5a]C)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C){2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5a]C){1|C<3>,2|C<4>}	124.3660	0.000	1	124.3660	0.000	1	124.3978	1.679	4	124.3978	1.679	4	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	4:2:3:	C[5a]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]C)	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5a]C)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]C){1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5a]C){1|S<2>,2|C<4>}	123.5050	0.373	2	123.5050	0.139	2	124.3978	1.679	4	124.3978	1.679	4	125.1828	8.590	1076	125.1828	8.590	1076
930	727	818	0:SP2_SP2_SP2	C	C[5a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:C-4:	N[5a]-3:C[5a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CF3)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5]C)	C[5](C[5]C[5]ReH)(N[5]C[5]H)(CC[5a]C)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CF3)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[5]C){1|C<3>,1|H<1>}	C[5](C[5]C[5]ReH)(N[5]C[5]H)(CC[5a]C){1|C<3>,1|H<1>}	117.6180	0.000	1	117.6180	0.000	1	117.6180	0.000	1	117.6180	0.000	1	125.1828	8.590	1076	125.1828	8.590	1076